UCSF

ZINC43394009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.95 7.8 -126.68 4 2 2 32 248.414 4
Hi High (pH 8-9.5) 2.95 7.41 -29.77 3 2 1 30 247.406 4
Mid Mid (pH 6-8) 2.95 5.48 -43.75 3 2 1 31 247.406 4

Activity (Go SEA)

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