UCSF

ZINC45661301

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) 1.19 6.29 -87.05 4 4 2 48 238.379 7
Hi High (pH 8-9.5) 1.19 5.9 -34.38 3 4 1 47 237.371 7

Activity (Go SEA)

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