UCSF

ZINC16661537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 24 No

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) 5.47 8.67 -8.77 1 4 0 54 338.432 3
Mid Mid (pH 6-8) 4.99 8.79 -46.99 0 4 -1 53 337.424 4
Lo Low (pH 4.5-6) 4.99 9.07 -16.01 1 4 0 51 338.432 4

Activity (Go SEA)

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