UCSF

ZINC24886935

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 21 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) 2.65 8.25 -115.74 3 3 2 24 309.523 7
Hi High (pH 8-9.5) 2.65 6.76 -39.86 2 3 1 20 308.515 7
Mid Mid (pH 6-8) 2.65 5.81 -39.56 2 3 1 23 308.515 7
Lo Low (pH 4.5-6) 2.65 10.49 -205.14 4 3 3 25 310.531 7

Activity (Go SEA)

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