UCSF

ZINC69892754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 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) 2.63 9.92 -39.41 1 3 1 25 273.4 5
Hi High (pH 8-9.5) 2.63 7.57 -7.95 0 3 0 24 272.392 5

Activity (Go SEA)

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