UCSF

ZINC12541312

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 32 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) 3.38 12.67 -13.54 0 6 0 64 425.536 3
Lo Low (pH 4.5-6) 3.38 12.95 -50.73 1 6 1 65 426.544 3

Activity (Go SEA)

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