UCSF

ZINC37113257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.36 5.63 -40.75 3 3 1 48 235.351 5
Mid Mid (pH 6-8) 0.36 5.29 -7.19 2 3 0 46 234.343 5

Activity (Go SEA)

Rings

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