UCSF

ZINC19998503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 4.66 10.28 -31.72 2 2 1 16 289.487 5
Lo Low (pH 4.5-6) 4.66 11.22 -103.75 3 2 2 21 290.495 5

Activity (Go SEA)

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