UCSF

ZINC20129174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.76 8.95 -110.26 3 3 2 34 260.381 6
Hi High (pH 8-9.5) 2.76 7.52 -38.11 2 3 1 30 259.373 6
Mid Mid (pH 6-8) 2.76 6.42 -44.73 2 3 1 33 259.373 6

Activity (Go SEA)

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