UCSF

ZINC01166320

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 30 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) 6.94 14.71 -12.4 0 4 0 40 431.586 5
Lo Low (pH 4.5-6) 6.94 15.16 -33.85 1 4 1 41 432.594 5

Activity (Go SEA)

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