UCSF

ZINC20143354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.88 4.08 -34.68 4 3 1 49 297.85 3
Hi High (pH 8-9.5) 3.89 5.12 -28.25 3 3 0 52 296.842 3
Hi High (pH 8-9.5) 3.88 4.83 -54.48 3 3 0 52 296.842 3
Mid Mid (pH 6-8) 3.89 5.31 -104.6 5 3 2 53 298.858 3

Activity (Go SEA)

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