UCSF

ZINC18209381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 24 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) 4.00 10.8 -8.74 1 4 0 54 357.866 4
Hi High (pH 8-9.5) 4.53 9.76 -44.94 0 4 -1 56 356.858 5
Lo Low (pH 4.5-6) 4.53 11.01 -33.11 2 4 1 55 358.874 5

Activity (Go SEA)

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