UCSF

ZINC02165674

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 28 No

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) 5.87 11.41 -8.86 0 4 0 43 372.468 6
Lo Low (pH 4.5-6) 5.87 11.72 -39.77 1 4 1 45 373.476 6

Activity (Go SEA)

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