UCSF

ZINC40939344

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 2.89 10.53 -19.2 4 8 0 109 417.517 7
Mid Mid (pH 6-8) 2.89 10.9 -40.64 5 8 1 110 418.525 7
Lo Low (pH 4.5-6) 2.89 11.25 -79.03 6 8 2 112 419.533 7

Activity (Go SEA)

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