UCSF

ZINC43418926

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.18 5.24 -29.9 4 6 1 89 266.369 6
Mid Mid (pH 6-8) 1.18 4.78 -7.83 3 6 0 88 265.361 6

Activity (Go SEA)

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