UCSF

ZINC26962712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 26 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) 4.45 6.65 -10.88 0 5 0 47 390.27 3
Ref Reference (pH 7) 4.45 6.95 -8.69 0 5 0 47 390.27 3
Lo Low (pH 4.5-6) 4.45 8.97 -45.61 1 5 1 48 391.278 3
Lo Low (pH 4.5-6) 4.45 9.68 -45.04 1 5 1 48 391.278 3

Activity (Go SEA)

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