UCSF

ZINC34628818

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 2.61 7.39 -34.43 2 2 1 16 231.363 2
Mid Mid (pH 6-8) 2.61 8.65 -119.73 3 2 2 21 232.371 2

Activity (Go SEA)

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