UCSF

ZINC05919487

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 3.95 9.31 -15.89 2 6 0 76 416.934 7
Lo Low (pH 4.5-6) 3.95 9.77 -42.13 3 6 1 77 417.942 7

Activity (Go SEA)

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