UCSF

ZINC37853229

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.51 4.01 -104.4 4 5 2 60 290.448 12
Mid Mid (pH 6-8) 0.51 1.88 -43.33 3 5 1 59 289.44 12

Activity (Go SEA)

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