UCSF

ZINC37334949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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) 2.64 7.7 -34.53 1 2 1 22 212.338 6
Mid Mid (pH 6-8) 2.64 5.69 -6.61 0 2 0 20 211.33 6

Activity (Go SEA)

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