UCSF

ZINC44720537

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 0.19 1.93 -46.34 1 7 -1 99 293.365 7
Hi High (pH 8-9.5) 0.19 1.82 -103.55 0 7 -2 101 292.357 7

Activity (Go SEA)

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