UCSF

ZINC32149833

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 13 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) 2.17 8.33 -37.3 1 1 1 4 174.267 4
Mid Mid (pH 6-8) 2.17 5.98 -2.88 0 1 0 3 173.259 4

Activity (Go SEA)

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