UCSF

ZINC22011289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

Other Names:

MFCD08166569

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 4.34 -8.4 2 3 0 53 201.225 3
Hi High (pH 8-9.5) 1.43 4.91 -61.8 1 3 -1 56 200.217 3
Hi High (pH 8-9.5) 1.43 4.91 -61.68 1 3 -1 56 200.217 3
Mid Mid (pH 6-8) 0.53 4.14 -38.89 2 3 1 51 202.233 3
Mid Mid (pH 6-8) 0.54 4.54 -6.14 1 3 0 50 201.225 3
Mid Mid (pH 6-8) 0.54 4.57 -6.18 1 3 0 50 201.225 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.