UCSF

ZINC04899261

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 28 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) 1.92 8.83 -100.97 2 8 -2 138 390.436 14
Lo Low (pH 4.5-6) 1.92 6.85 -58.66 3 8 -1 136 391.444 14

Activity (Go SEA)

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