UCSF

ZINC19208419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 24 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) 2.96 9.86 -37.08 1 3 1 21 322.476 5
Mid Mid (pH 6-8) 2.96 9.8 -34.18 1 3 1 21 322.476 5
Mid Mid (pH 6-8) 2.96 7.48 -5.54 0 3 0 19 321.468 5
Mid Mid (pH 6-8) 2.96 10.24 -87.5 2 3 2 22 323.484 5

Activity (Go SEA)

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