UCSF

ZINC43972970

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.58 6.57 -109.17 3 3 2 30 244.423 6
Hi High (pH 8-9.5) 2.58 3.65 -0.78 1 3 0 24 242.407 6
Hi High (pH 8-9.5) 2.58 5.35 -33.19 2 3 1 29 243.415 6
Mid Mid (pH 6-8) 2.58 5.63 -28.72 2 3 1 26 243.415 6

Activity (Go SEA)

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