UCSF

ZINC38103197

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 18 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) 0.93 5.7 -14.46 1 5 0 60 264.716 4
Mid Mid (pH 6-8) 0.93 6.22 -43.49 2 5 1 61 265.724 4

Activity (Go SEA)

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