UCSF

ZINC39712242

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) 1.79 3.89 -112.05 4 2 2 33 158.289 4
Hi High (pH 8-9.5) 1.79 2.7 -35.83 3 2 1 29 157.281 4
Mid Mid (pH 6-8) 1.79 2.44 -35.29 3 2 1 29 157.281 4

Activity (Go SEA)

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