UCSF

ZINC41514729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.50 10.46 -40.48 2 4 1 51 345.422 5
Hi High (pH 8-9.5) 4.50 8.66 -43.62 0 4 -1 52 343.406 5
Mid Mid (pH 6-8) 4.50 8.1 -10.88 1 4 0 49 344.414 5
Mid Mid (pH 6-8) 4.50 11.02 -23.34 1 4 0 54 344.414 5

Activity (Go SEA)

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