UCSF

ZINC34681050

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 3.59 10.75 -16.48 1 6 0 66 416.472 5
Lo Low (pH 4.5-6) 3.59 11.11 -48.22 2 6 1 67 417.48 5

Activity (Go SEA)

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