UCSF

ZINC04239242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 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) 1.43 5.8 -12.8 2 5 0 67 270.336 5
Lo Low (pH 4.5-6) 1.43 6.27 -37.5 3 5 1 68 271.344 5

Activity (Go SEA)

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