UCSF

ZINC32497939

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) -0.19 1.71 -18.68 3 6 0 90 260.297 4
Mid Mid (pH 6-8) -0.19 2.17 -39.51 4 6 1 91 261.305 4

Activity (Go SEA)

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