UCSF

ZINC42250149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 3.17 5.64 -4.25 1 3 0 33 291.435 6
Mid Mid (pH 6-8) 3.17 7.92 -37.79 2 3 1 34 292.443 6

Activity (Go SEA)

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