UCSF

ZINC33815268

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 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) -0.37 8.33 -100.99 2 8 0 100 423.416 6
Mid Mid (pH 6-8) -0.37 7.01 -69.83 1 8 -1 96 422.408 6
Mid Mid (pH 6-8) -0.37 6.31 -54.88 3 8 1 98 424.424 6
Lo Low (pH 4.5-6) -3.11 7.04 -79.17 3 8 1 103 424.424 5

Activity (Go SEA)

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