UCSF

ZINC37051621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.63 5.87 -40.01 2 4 1 34 261.393 2
Mid Mid (pH 6-8) 0.63 6.75 -112.54 3 4 2 39 262.401 2

Activity (Go SEA)

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