UCSF

ZINC13552730

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 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) 4.46 9.14 -58.1 0 10 -1 143 460.422 5
Lo Low (pH 4.5-6) 4.00 11.61 -16.62 1 10 0 140 461.43 5

Activity (Go SEA)

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