UCSF

ZINC37325337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 3.07 10.12 -47.65 0 4 -1 58 289.38 6
Mid Mid (pH 6-8) 3.07 10.61 -38.9 1 4 0 59 290.388 6

Activity (Go SEA)

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