UCSF

ZINC34823643

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 3.31 8.94 -45.68 2 3 1 33 258.389 6
Hi High (pH 8-9.5) 3.31 7.46 -6.1 1 3 0 28 257.381 6
Mid Mid (pH 6-8) 3.31 9.4 -93.79 3 3 2 34 259.397 6

Activity (Go SEA)

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