UCSF

ZINC32126239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.92 8.39 -36.25 2 2 1 26 280.75 6
Mid Mid (pH 6-8) 3.92 6.96 -5.06 1 2 0 21 279.742 6

Activity (Go SEA)

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