UCSF

ZINC47225985

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 27 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) 2.02 7.45 -24.71 2 6 0 74 374.391 6
Mid Mid (pH 6-8) 2.02 7.57 -45.67 3 6 1 76 375.399 6

Activity (Go SEA)

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