UCSF

ZINC19834288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 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) 0.08 2.42 -99.4 5 4 2 65 187.287 5
Hi High (pH 8-9.5) 0.08 -0.07 -33.98 4 4 1 64 186.279 5
Mid Mid (pH 6-8) -2.83 2.37 -27.92 5 4 1 65 186.279 5

Activity (Go SEA)

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