UCSF

ZINC43895033

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 3.14 6.65 -33.85 2 3 1 29 275.416 5
Hi High (pH 8-9.5) 3.14 5.19 -2.03 1 3 0 24 274.408 5
Mid Mid (pH 6-8) 3.14 8.54 -108.73 3 3 2 30 276.424 5
Mid Mid (pH 6-8) 3.14 8.68 -31.58 2 3 1 26 275.416 5

Activity (Go SEA)

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