UCSF

ZINC12537955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 27 Yes

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) 2.41 8.36 -12.62 1 6 0 73 357.417 5
Lo Low (pH 4.5-6) 2.41 8.63 -47.76 2 6 1 74 358.425 5

Activity (Go SEA)

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