UCSF

ZINC20127136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 0.54 4.85 -40.58 2 4 1 37 240.371 4
Mid Mid (pH 6-8) 0.54 3.7 -47.81 2 4 1 40 240.371 4
Lo Low (pH 4.5-6) 0.54 6.12 -111.06 3 4 2 41 241.379 4

Activity (Go SEA)

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