UCSF

ZINC42916014

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 1.61 6.99 -104.97 4 3 2 47 249.333 4
Hi High (pH 8-9.5) 1.61 6.34 -7.67 2 3 0 44 247.317 4
Mid Mid (pH 6-8) 1.61 6.63 -56.75 3 3 1 45 248.325 4

Activity (Go SEA)

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