UCSF

ZINC42825254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) -0.57 -0.56 -40.42 4 3 1 49 159.253 4
Mid Mid (pH 6-8) -0.57 0.78 -114.28 5 3 2 53 160.261 4
Mid Mid (pH 6-8) -0.57 0.41 -34.91 4 3 1 52 159.253 4

Activity (Go SEA)

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