UCSF

ZINC34825349

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 3.12 9.39 -35.41 2 3 1 34 272.759 3
Hi High (pH 8-9.5) 3.12 7.99 -7.07 1 3 0 30 271.751 3
Lo Low (pH 4.5-6) 3.12 9.87 -91.8 3 3 2 36 273.767 3

Activity (Go SEA)

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