UCSF

ZINC49399073

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 1.40 3.64 -48.36 3 6 1 80 264.305 4
Mid Mid (pH 6-8) 1.86 0.99 -71.73 2 6 0 83 263.297 4

Activity (Go SEA)

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