UCSF

ZINC54863986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) -0.09 5.73 -92.23 4 4 2 48 268.43 2
Hi High (pH 8-9.5) -0.09 3.18 -6.08 2 4 0 45 266.414 2
Mid Mid (pH 6-8) -0.09 3.51 -44.89 3 4 1 47 267.422 2
Lo Low (pH 4.5-6) -0.09 6.13 -170.03 5 4 3 49 269.438 2

Activity (Go SEA)

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

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