UCSF

ZINC30907021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 21 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) 3.02 6.76 -37.48 2 4 1 35 354.268 5
Mid Mid (pH 6-8) 3.02 8.1 -115.77 3 4 2 40 355.276 5
Mid Mid (pH 6-8) 3.02 5.69 -53.63 2 4 1 38 354.268 5

Activity (Go SEA)

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