UCSF

ZINC34353532

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 10 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) 1.39 3.64 -36.89 2 3 1 43 146.21 5
Mid Mid (pH 6-8) 1.39 2.46 -5.63 1 3 0 38 145.202 5

Activity (Go SEA)

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