UCSF

ZINC45688578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.29 6.18 -89.8 3 3 2 24 243.439 8
Hi High (pH 8-9.5) 2.29 3.72 -34.35 2 3 1 23 242.431 8

Activity (Go SEA)

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