UCSF

ZINC37505071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) 0.55 5.82 -42.02 3 3 1 48 235.351 5
Mid Mid (pH 6-8) 0.55 5.5 -8.24 2 3 0 46 234.343 5

Activity (Go SEA)

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