UCSF

ZINC02097760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 25 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) 8.79 2.02 -6.69 0 1 0 12 333.519 9
Lo Low (pH 4.5-6) 8.79 2.07 -27.04 1 1 1 14 334.527 9

Activity (Go SEA)

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