UCSF

ZINC18067936

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 11 Yes

Other Names:

MFCD04037489

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) 0.00 -4.07 -49.79 1 6 -1 90 150.121 0
Hi High (pH 8-9.5) 0.00 -4.09 -107.66 0 6 -2 89 149.113 0
Mid Mid (pH 6-8) -0.45 -2.02 -6.79 2 6 0 87 151.129 0

Activity (Go SEA)

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

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