UCSF

ZINC12463132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 25 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) 5.84 12.71 -10.38 0 3 0 27 336.479 7
Mid Mid (pH 6-8) 5.84 13.13 -29.36 1 3 1 28 337.487 7

Activity (Go SEA)

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