UCSF

ZINC37986830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 0.05 2.92 -11.44 2 6 0 74 245.286 4
Lo Low (pH 4.5-6) 0.05 3.3 -37.7 3 6 1 75 246.294 4

Activity (Go SEA)

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