UCSF

ZINC19729160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 15 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) 1.77 4.97 -40.81 2 2 1 20 205.325 3
Lo Low (pH 4.5-6) 1.77 6.97 -112.98 3 2 2 21 206.333 3
Lo Low (pH 4.5-6) 1.77 5.56 -29.47 2 2 1 16 205.325 3

Activity (Go SEA)

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