UCSF

ZINC12383188

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 31 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) 4.72 -3.77 -10.88 3 5 0 81 432.593 4
Lo Low (pH 4.5-6) 4.72 -3.65 -38.28 4 5 1 82 433.601 4

Activity (Go SEA)

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