UCSF

ZINC21637735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 0.81 7.53 -46.44 1 6 1 54 304.418 3
Mid Mid (pH 6-8) 0.81 5.26 -7.79 0 6 0 53 303.41 3

Activity (Go SEA)

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