UCSF

ZINC20269907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 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) 1.79 3.98 -48.59 3 5 1 62 291.4 3
Hi High (pH 8-9.5) 1.79 2.62 -14.57 2 5 0 57 290.392 3
Mid Mid (pH 6-8) 1.79 4.77 -46.72 3 5 1 58 291.4 3
Mid Mid (pH 6-8) 1.61 3.71 -34.03 2 5 0 65 290.392 3
Lo Low (pH 4.5-6) 1.79 6.17 -126.97 4 5 2 63 292.408 3

Activity (Go SEA)

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