UCSF

ZINC04375808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 26 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) 6.08 10.47 -2.96 1 3 0 36 350.506 6
Hi High (pH 8-9.5) 6.08 10.66 -5.03 1 3 0 36 350.506 6
Lo Low (pH 4.5-6) 6.08 12.16 -35.08 2 3 1 37 351.514 6
Lo Low (pH 4.5-6) 6.08 12.36 -35.91 2 3 1 37 351.514 6

Activity (Go SEA)

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