UCSF

ZINC40809709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 3.37 3.03 -9.82 2 5 0 79 332.491 4
Mid Mid (pH 6-8) 3.82 0.68 -43.18 1 5 -1 82 331.483 4

Activity (Go SEA)

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