UCSF

ZINC62940719

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 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) 2.44 7.54 -87.04 3 3 2 24 267.461 4
Hi High (pH 8-9.5) 2.44 5.96 -36.31 2 3 1 23 266.453 4
Hi High (pH 8-9.5) 2.44 6.97 -30.72 2 3 1 20 266.453 4

Activity (Go SEA)

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

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