UCSF

ZINC44678895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.42 -1.25 -12.32 2 6 0 88 280.371 7
Mid Mid (pH 6-8) 0.88 -3.55 -42.87 1 6 -1 91 279.363 7

Activity (Go SEA)

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