UCSF

ZINC43446529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 2.00 5.5 -39.66 2 4 1 46 243.371 7
Mid Mid (pH 6-8) 2.00 6.56 -37.73 2 4 1 43 243.371 7
Mid Mid (pH 6-8) 2.00 4.32 -4.74 1 4 0 42 242.363 7
Lo Low (pH 4.5-6) 2.00 7.72 -106.36 3 4 2 47 244.379 7

Activity (Go SEA)

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