UCSF

ZINC39712260

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 11 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) 1.46 4.41 -108.21 4 2 2 33 158.289 6
Mid Mid (pH 6-8) 1.46 3.36 -33.68 3 2 1 29 157.281 6
Mid Mid (pH 6-8) 1.46 3.12 -34.02 3 2 1 29 157.281 6

Activity (Go SEA)

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