UCSF

ZINC42548453

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 Yes

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) 0.89 5.29 -42.74 2 3 1 44 210.345 8
Mid Mid (pH 6-8) 0.89 7.4 -114.58 3 3 2 45 211.353 8

Activity (Go SEA)

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