UCSF

ZINC52213776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 11 Yes

Other Names:

MFCD09264175

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) 0.57 2.85 -34.95 2 2 1 20 155.265 1
Hi High (pH 8-9.5) 0.57 3.61 -27.02 2 2 1 16 155.265 1
Hi High (pH 8-9.5) 0.57 1.59 -1.23 1 2 0 15 154.257 1

Activity (Go SEA)

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