UCSF

ZINC37337744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 0.71 2.5 -29.68 0 7 -1 89 252.25 4
Mid Mid (pH 6-8) 0.71 2.95 -15.37 1 7 0 91 253.258 4
Lo Low (pH 4.5-6) 0.71 5.06 -51.73 2 7 1 92 254.266 4

Activity (Go SEA)

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