UCSF

ZINC05922802

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 2.95 8.31 -18.53 1 6 0 77 368.462 5
Lo Low (pH 4.5-6) 2.95 8.61 -34.93 2 6 1 78 369.47 5

Activity (Go SEA)

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