UCSF

ZINC06130639

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 26 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) 3.90 6.86 -21.98 2 6 0 84 371.824 6
Ref Reference (pH 7) 3.90 7 -14.7 2 6 0 84 371.824 6
Hi High (pH 8-9.5) 4.36 4.97 -60.96 1 6 -1 87 370.816 6
Hi High (pH 8-9.5) 4.36 5.24 -45.95 1 6 -1 87 370.816 6

Activity (Go SEA)

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