UCSF

ZINC10356078

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2007 24 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) 3.15 -0.43 -14.25 1 5 0 56 321.38 5
Mid Mid (pH 6-8) 3.15 -0.22 -37.36 2 5 1 56 322.388 5

Activity (Go SEA)

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