UCSF

ZINC14995829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 35 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) 3.44 10.43 -14.98 0 7 0 74 483.515 9
Lo Low (pH 4.5-6) 3.44 12.95 -88.68 2 7 2 76 485.531 9
Lo Low (pH 4.5-6) 3.44 10.87 -44.24 1 7 1 75 484.523 9

Activity (Go SEA)

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