UCSF

ZINC37215303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.40 6.22 -37.38 2 3 1 39 249.378 4
Hi High (pH 8-9.5) 2.40 5.89 -5.11 1 3 0 34 248.37 4
Mid Mid (pH 6-8) 2.40 6.61 -88.95 3 3 2 40 250.386 4
Mid Mid (pH 6-8) 2.40 6.27 -24.16 2 3 1 35 249.378 4

Activity (Go SEA)

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