UCSF

ZINC20070502

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) 2.32 5.96 -40.44 2 3 1 26 277.31 7
Hi High (pH 8-9.5) 2.32 3.96 -4.58 1 3 0 24 276.302 7
Lo Low (pH 4.5-6) 2.32 7.27 -124.86 3 3 2 30 278.318 7

Activity (Go SEA)

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