UCSF

ZINC19474178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) -0.68 1.77 -34.67 2 4 1 37 186.279 2
Hi High (pH 8-9.5) -0.68 -0.61 -8.47 1 4 0 36 185.271 2
Mid Mid (pH 6-8) -0.68 3.15 -95.28 3 4 2 41 187.287 2

Activity (Go SEA)

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