UCSF

ZINC35673744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 1.28 4.65 -64.09 4 6 0 109 279.34 8
Mid Mid (pH 6-8) 1.28 4.33 -51.96 3 6 -1 108 278.332 8
Lo Low (pH 4.5-6) 1.28 2.67 -38.4 5 6 1 107 280.348 8

Activity (Go SEA)

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