UCSF

ZINC03830446

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) -0.68 -5.84 -94.42 4 13 0 176 525.642 10
Lo Low (pH 4.5-6) -0.68 -5.73 -114.43 5 13 1 177 526.65 10

Activity (Go SEA)

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