UCSF

ZINC20262882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 1.80 6.67 -64.75 0 9 -1 105 469.514 10
Mid Mid (pH 6-8) 1.80 9 -85.64 1 9 0 106 470.522 10
Lo Low (pH 4.5-6) 1.80 8.04 -60.68 2 9 1 103 471.53 10

Activity (Go SEA)

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