UCSF

ZINC13989862

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 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) 3.33 9.59 -13.58 0 6 0 52 416.525 9
Mid Mid (pH 6-8) 3.33 10.35 -29.91 1 6 1 54 417.533 9
Lo Low (pH 4.5-6) 3.33 10.8 -80.03 2 6 2 55 418.541 9

Activity (Go SEA)

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