UCSF

ZINC33496152

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 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) 2.07 5.28 -118.84 4 2 2 32 210.365 3
Hi High (pH 8-9.5) 2.07 3.04 -43.39 3 2 1 31 209.357 3
Mid Mid (pH 6-8) 2.07 4.9 -32.46 3 2 1 30 209.357 3

Activity (Go SEA)

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