UCSF

ZINC34449467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 1.17 5.12 -84.8 3 3 2 24 227.396 4
Hi High (pH 8-9.5) 1.17 2.86 -37.53 2 3 1 23 226.388 4
Mid Mid (pH 6-8) 1.17 5.23 -77.91 3 3 2 24 227.396 4

Activity (Go SEA)

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