UCSF

ZINC43980854

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.85 8.29 -109.12 3 3 2 30 266.429 8
Hi High (pH 8-9.5) 2.85 5.16 -2.02 1 3 0 24 264.413 8
Hi High (pH 8-9.5) 2.85 6.84 -35.71 2 3 1 29 265.421 8
Mid Mid (pH 6-8) 2.85 6.11 -31.55 2 3 1 26 265.421 8

Activity (Go SEA)

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