UCSF

ZINC44675921

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 15 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) 1.61 6.94 -111.66 4 2 2 33 206.333 6
Mid Mid (pH 6-8) 1.61 5.8 -37.31 3 2 1 29 205.325 6
Mid Mid (pH 6-8) 1.61 5.58 -34.57 3 2 1 29 205.325 6

Activity (Go SEA)

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