UCSF

ZINC42457541

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 3.84 9.9 -36.82 1 2 1 22 254.419 7
Mid Mid (pH 6-8) 3.84 7.63 -5.8 0 2 0 20 253.411 7

Activity (Go SEA)

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