UCSF

ZINC43910233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 43 No

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) -2.17 -5.04 -77.99 12 22 -1 349 625.476 8
Lo Low (pH 4.5-6) -2.17 -4.57 -81.39 13 22 0 351 626.484 8
Lo Low (pH 4.5-6) -2.17 -4.57 -70.71 13 22 0 351 626.484 8
Lo Low (pH 4.5-6) -2.17 -4.1 -98.48 14 22 1 352 627.492 8

Activity (Go SEA)

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