UCSF

ZINC44994867

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 15 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) 0.10 1.84 -39.67 2 5 1 55 211.289 4
Hi High (pH 8-9.5) 0.10 0.52 -45.52 2 5 1 59 211.289 4
Lo Low (pH 4.5-6) 0.10 3.03 -117.75 3 5 2 60 212.297 4

Activity (Go SEA)

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