UCSF

ZINC34825346

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 2.49 9 -38.45 2 3 1 34 238.314 3
Hi High (pH 8-9.5) 2.49 7.5 -7.76 1 3 0 30 237.306 3
Lo Low (pH 4.5-6) 2.49 9.48 -92.56 3 3 2 36 239.322 3

Activity (Go SEA)

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