UCSF

ZINC08743549

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 0.51 2.63 -63.68 1 7 -1 103 353.354 6
Mid Mid (pH 6-8) -0.07 -3.12 -14.74 1 7 0 96 354.362 6
Lo Low (pH 4.5-6) 0.96 -2.7 -61.03 3 7 1 101 355.37 5
Lo Low (pH 4.5-6) -0.07 -3.01 -50.65 2 7 1 98 355.37 6
Lo Low (pH 4.5-6) 0.51 1.81 -19.95 2 7 0 100 354.362 6

Activity (Go SEA)

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