UCSF

ZINC69511202

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 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) 3.70 6.51 -11.74 1 5 0 68 362.495 9
Lo Low (pH 4.5-6) 3.70 6.54 -35.47 1 5 0 72 362.495 9

Activity (Go SEA)

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