UCSF

ZINC15920109

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 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) 1.68 2.18 -63.65 2 7 -1 110 382.392 7
Mid Mid (pH 6-8) 2.12 1.48 -26.6 3 7 0 107 383.4 6
Mid Mid (pH 6-8) 1.09 2.46 -20.31 2 7 0 104 383.4 7

Activity (Go SEA)

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