UCSF

ZINC19568490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 24 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) 3.64 8.68 -39.44 1 4 1 30 329.464 4
Lo Low (pH 4.5-6) 3.64 10.98 -107.72 2 4 2 31 330.472 4
Lo Low (pH 4.5-6) 3.64 8.74 -41.19 1 4 1 30 329.464 4

Activity (Go SEA)

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