UCSF

ZINC43965968

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) 2.58 8.18 -110.2 3 3 2 30 276.424 4
Hi High (pH 8-9.5) 2.58 4.64 -3.36 1 3 0 24 274.408 4
Mid Mid (pH 6-8) 2.58 7.15 -31.55 2 3 1 26 275.416 4

Activity (Go SEA)

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