UCSF

ZINC37409366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.27 6.99 -48.72 0 4 -1 58 209.269 5
Lo Low (pH 4.5-6) 2.27 7.11 -37.44 1 4 0 59 210.277 5

Activity (Go SEA)

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