UCSF

ZINC36749085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -0.12 -0.48 -7.83 3 6 0 68 239.323 4
Mid Mid (pH 6-8) -0.12 -0.36 -27.81 4 6 1 70 240.331 4
Mid Mid (pH 6-8) -0.12 1.78 -46.96 4 6 1 70 240.331 4
Lo Low (pH 4.5-6) -0.12 1.9 -90.03 5 6 2 71 241.339 4

Activity (Go SEA)

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