UCSF

ZINC20070403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.49 8.56 -113.36 3 3 2 30 278.44 8
Hi High (pH 8-9.5) 2.48 7.54 -2.29 1 3 0 24 276.424 8
Mid Mid (pH 6-8) 2.49 6.67 -36.24 2 3 1 29 277.432 8
Mid Mid (pH 6-8) 2.49 7.41 -27.98 2 3 1 26 277.432 8

Activity (Go SEA)

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