UCSF

ZINC37015303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.17 3.55 -48.49 4 4 1 70 244.318 3
Lo Low (pH 4.5-6) 1.17 4.43 -91.92 5 4 2 71 245.326 3

Activity (Go SEA)

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