UCSF

ZINC43967299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.68 8.65 -115.63 3 4 2 39 280.46 6
Hi High (pH 8-9.5) 2.67 5.7 -4.88 1 4 0 33 278.444 6
Mid Mid (pH 6-8) 2.68 6.85 -35.04 2 4 1 38 279.452 6

Activity (Go SEA)

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