UCSF

ZINC38420468

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 22 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) 3.53 10 -41.63 2 2 1 29 311.836 0
Hi High (pH 8-9.5) 3.53 8.79 -6.29 1 2 0 25 310.828 0

Activity (Go SEA)

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