UCSF

ZINC45348189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 27 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) 4.13 9.68 -78.52 4 5 2 60 392.975 12
Hi High (pH 8-9.5) 4.13 9.27 -44.09 3 5 1 58 391.967 12

Activity (Go SEA)

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