UCSF

ZINC37787060

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.56 1.75 -16.41 2 6 0 72 245.286 5
Lo Low (pH 4.5-6) -0.56 2.22 -46.14 3 6 1 73 246.294 5

Activity (Go SEA)

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