UCSF

ZINC20031512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 Yes

Other Names:

MFCD09757890

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) 1.88 2.88 -8.84 1 5 0 67 225.302 3
Hi High (pH 8-9.5) 1.88 2.86 -42.91 0 5 -1 66 224.294 3

Activity (Go SEA)

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

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