UCSF

ZINC37812238

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.08 7.42 -93.73 4 4 2 52 287.492 10
Mid Mid (pH 6-8) 2.08 7.17 -46.37 3 4 1 51 286.484 10

Activity (Go SEA)

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