UCSF

ZINC34672002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 2.69 8.72 -14.95 1 6 0 66 352.438 4
Lo Low (pH 4.5-6) 2.69 9.03 -42.26 2 6 1 67 353.446 4

Activity (Go SEA)

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