UCSF

ZINC61451790

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 2.00 1.88 -39.25 2 7 1 74 266.325 4
Hi High (pH 8-9.5) 2.00 -0.55 -6.43 1 7 0 72 265.317 4

Activity (Go SEA)

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

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