UCSF

ZINC34476672

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 24 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) -0.06 7.95 -92.47 2 6 0 88 332.331 3
Mid Mid (pH 6-8) -0.06 6.66 -62.99 1 6 -1 83 331.323 3
Lo Low (pH 4.5-6) -0.06 5.95 -51.29 3 6 1 85 333.339 3
Lo Low (pH 4.5-6) -2.50 6.14 -79.39 3 6 1 90 333.339 3

Activity (Go SEA)

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