UCSF

ZINC40806415

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 4.00 5.42 -50.43 4 3 1 57 255.426 7
Mid Mid (pH 6-8) 4.00 5.14 -4.98 3 3 0 55 254.418 7

Activity (Go SEA)

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