UCSF

ZINC04113473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 32 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) 7.34 10.03 -51.84 2 6 -1 97 444.898 4
Hi High (pH 8-9.5) 7.34 10.79 -96.79 1 6 -2 100 443.89 4
Hi High (pH 8-9.5) 5.67 9.56 -64.1 2 6 -1 97 444.898 4
Hi High (pH 8-9.5) 7.34 9.55 -110.41 1 6 -2 100 443.89 4
Mid Mid (pH 6-8) 7.34 9.02 -12.57 3 6 0 94 445.906 4
Mid Mid (pH 6-8) 7.34 7.83 -10.32 3 6 0 94 445.906 4

Activity (Go SEA)

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