UCSF

ZINC42915727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.32 7.65 -130.13 4 3 2 45 290.382 6
Mid Mid (pH 6-8) 2.32 7.4 -35.76 3 3 1 44 289.374 6
Mid Mid (pH 6-8) 2.32 6.28 -47.9 3 3 1 44 289.374 6

Activity (Go SEA)

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