UCSF

ZINC37328122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 2.79 1.16 -11.65 2 5 0 76 315.297 5
Mid Mid (pH 6-8) 2.79 1.21 -46.94 1 5 -1 78 314.289 5

Activity (Go SEA)

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