UCSF

ZINC20078819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.18 7.84 -92.78 3 3 2 33 243.354 1
Mid Mid (pH 6-8) 1.18 7.91 -47.07 2 3 1 32 242.346 1

Activity (Go SEA)

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