UCSF

ZINC37840956

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.69 -0.68 -14.25 1 8 0 96 288.329 5
Lo Low (pH 4.5-6) -0.69 1.47 -51.24 2 8 1 97 289.337 5

Activity (Go SEA)

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