UCSF

ZINC19897792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 35 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) 2.92 12.37 -70.05 1 8 0 98 471.513 7
Hi High (pH 8-9.5) 2.92 9.84 -61.52 0 8 -1 97 470.505 7
Lo Low (pH 4.5-6) 2.92 11.37 -47 2 8 1 95 472.521 7

Activity (Go SEA)

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