UCSF

ZINC24049579

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 20 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) 0.84 6.2 -13.49 1 5 0 56 271.32 4
Mid Mid (pH 6-8) 0.84 6.68 -43.13 2 5 1 57 272.328 4

Activity (Go SEA)

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