UCSF

ZINC39712246

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 9 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) 0.44 3.1 -109.37 4 2 2 33 132.251 6
Mid Mid (pH 6-8) 0.44 1.75 -35.2 3 2 1 29 131.243 6
Mid Mid (pH 6-8) 0.44 1.76 -34.48 3 2 1 29 131.243 6

Activity (Go SEA)

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