UCSF

ZINC45660242

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) 0.73 1.23 -35.52 3 4 1 46 243.371 5
Lo Low (pH 4.5-6) 0.73 2.44 -102.95 4 4 2 51 244.379 5

Activity (Go SEA)

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