UCSF

ZINC06423865

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 28 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) 1.91 8.45 -50.17 0 6 -1 86 377.351 5
Mid Mid (pH 6-8) 1.91 7.53 -12.02 1 6 0 84 378.359 5
Mid Mid (pH 6-8) 1.33 7.9 -13.49 0 6 0 80 378.359 5
Lo Low (pH 4.5-6) 1.91 7.81 -51.99 2 6 1 85 379.367 5
Lo Low (pH 4.5-6) 1.33 8.17 -46.33 1 6 1 82 379.367 5

Activity (Go SEA)

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