UCSF

ZINC31819439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 24 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) 2.72 7.04 -10.87 1 5 0 60 319.364 3
Ref Reference (pH 7) 2.54 9.71 -10.51 1 5 0 56 319.364 3
Lo Low (pH 4.5-6) 2.54 10.17 -40.45 2 5 1 57 320.372 3

Activity (Go SEA)

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