UCSF

ZINC04396673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 30 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) 2.91 5.41 -14.24 2 7 0 127 399.454 3
Mid Mid (pH 6-8) 3.00 2.68 -124.87 3 7 2 127 401.47 3
Lo Low (pH 4.5-6) 2.91 5.2 -61.09 3 7 1 129 400.462 3
Lo Low (pH 4.5-6) 2.91 7.97 -56.31 3 7 1 128 400.462 3

Activity (Go SEA)

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