UCSF

ZINC19889917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 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) 2.01 4.24 -3.47 0 3 0 16 260.381 3
Lo Low (pH 4.5-6) 2.01 8.72 -104.94 2 3 2 18 262.397 3
Lo Low (pH 4.5-6) 2.01 6.47 -34.57 1 3 1 17 261.389 3

Activity (Go SEA)

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