UCSF

ZINC34549117

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 5.00 13.04 -37.04 1 2 1 14 298.45 9
Hi High (pH 8-9.5) 5.00 10.57 -4.67 0 2 0 12 297.442 9

Activity (Go SEA)

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