UCSF

ZINC52424349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.65 6.38 -179.43 4 4 3 35 244.403 4
Hi High (pH 8-9.5) 0.65 1.99 -33.36 2 4 1 32 242.387 4
Mid Mid (pH 6-8) 0.65 4.47 -81.98 3 4 2 34 243.395 4

Activity (Go SEA)

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

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