UCSF

ZINC53663878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 13 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) 1.33 5.22 -37.55 2 3 1 33 180.275 4
Hi High (pH 8-9.5) 1.33 5.55 -92.74 3 3 2 34 181.283 4
Hi High (pH 8-9.5) 1.33 3.78 -5.51 1 3 0 28 179.267 4
Hi High (pH 8-9.5) 1.33 4.11 -24.96 2 3 1 29 180.275 4

Activity (Go SEA)

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