UCSF

ZINC29871652

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 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) 0.32 0.97 -20.36 2 6 0 88 235.243 3
Mid Mid (pH 6-8) 0.78 -1.16 -51.22 1 6 -1 91 234.235 3

Activity (Go SEA)

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