UCSF

ZINC17071780

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 24 No

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 9.31 -37.29 1 5 -1 81 342.806 3
Lo Low (pH 4.5-6) 3.44 7.95 -16.91 2 5 0 78 343.814 3

Activity (Go SEA)

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