UCSF

ZINC12437555

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 32 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) 5.13 7.76 -35.52 3 7 1 102 448.524 6
Hi High (pH 8-9.5) 5.13 7.29 -26.71 2 7 0 104 447.516 6
Hi High (pH 8-9.5) 5.13 8.4 -22.56 2 7 0 104 447.516 6

Activity (Go SEA)

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