UCSF

ZINC38683574

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 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) 3.85 4.46 -35.19 3 4 1 57 291.415 4
Hi High (pH 8-9.5) 2.72 4.63 -9.95 2 4 0 53 290.407 4
Hi High (pH 8-9.5) 3.85 1.39 -5.08 2 4 0 56 290.407 4
Hi High (pH 8-9.5) 3.85 2.33 -4.9 2 4 0 56 290.407 4

Activity (Go SEA)

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