UCSF

ZINC31820086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 26 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) 3.44 8.69 -10.87 1 5 0 60 347.418 4
Ref Reference (pH 7) 3.25 11.35 -10.1 1 5 0 56 347.418 4
Lo Low (pH 4.5-6) 3.25 11.81 -36.37 2 5 1 57 348.426 4

Activity (Go SEA)

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