UCSF

ZINC42778393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 1.74 3.34 -29.98 2 3 1 28 229.388 6
Mid Mid (pH 6-8) 1.74 4.02 -37.4 2 3 1 28 229.388 6
Lo Low (pH 4.5-6) 1.74 5.91 -103.99 3 3 2 29 230.396 6

Activity (Go SEA)

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