UCSF

ZINC12233027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 31 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) 0.97 -1.77 -18.73 1 9 0 100 435.513 7
Mid Mid (pH 6-8) 0.97 -1.49 -46.85 2 9 1 101 436.521 7

Activity (Go SEA)

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