UCSF

ZINC12402195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 33 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) 3.36 1.88 -28.31 1 6 0 79 463.5 5
Lo Low (pH 4.5-6) 3.36 2 -55.67 2 6 1 81 464.508 5

Activity (Go SEA)

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