UCSF

ZINC35433812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 2.15 5.7 -11.79 1 4 0 41 233.315 4
Mid Mid (pH 6-8) 2.15 5.87 -84.73 3 4 2 43 235.331 4
Mid Mid (pH 6-8) 2.15 5.39 -29.25 2 4 1 42 234.323 4
Lo Low (pH 4.5-6) 2.15 6.18 -24.14 2 4 1 42 234.323 4

Activity (Go SEA)

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