UCSF

ZINC09186673

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 32 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) 4.97 11.95 -142.29 0 6 -2 107 424.408 3
Mid Mid (pH 6-8) 4.97 12.1 -145.36 0 6 -2 107 424.408 3
Mid Mid (pH 6-8) 4.97 11.35 -61.96 1 6 -1 104 425.416 3
Mid Mid (pH 6-8) 4.97 10.99 -28.05 2 6 0 101 426.424 3
Lo Low (pH 4.5-6) 4.97 10.75 -25.88 2 6 0 101 426.424 3

Activity (Go SEA)

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