UCSF

ZINC42430751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) -0.64 1.2 -82.33 3 7 0 98 251.29 5
Lo Low (pH 4.5-6) -0.64 1.36 -87.46 4 7 1 99 252.298 5
Lo Low (pH 4.5-6) -0.64 3.46 -155.53 4 7 1 99 252.298 5
Lo Low (pH 4.5-6) -0.64 2.12 -79.48 3 7 0 94 251.29 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.