UCSF

ZINC19889059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 1.56 4.34 -4.58 0 4 0 29 289.423 3
Lo Low (pH 4.5-6) 1.56 6.48 -80.43 2 4 2 31 291.439 3
Lo Low (pH 4.5-6) 1.56 6.46 -34.94 1 4 1 30 290.431 3

Activity (Go SEA)

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