UCSF

ZINC23281711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 14 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) 2.66 6.41 -34.06 1 2 1 8 199.362 5
Mid Mid (pH 6-8) 2.66 6.84 -33 1 2 1 8 199.362 5
Mid Mid (pH 6-8) 2.66 8.93 -107.12 2 2 2 9 200.37 5

Activity (Go SEA)

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