UCSF

ZINC62949043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 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) 1.95 4.88 -84.3 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.95 1.94 -1.02 1 3 0 19 239.407 3
Hi High (pH 8-9.5) 1.95 3.83 -29.91 2 3 1 20 240.415 3
Hi High (pH 8-9.5) 1.95 2.99 -36.53 2 3 1 23 240.415 3

Activity (Go SEA)

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

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