UCSF

ZINC43411408

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) 2.08 3.79 -41.82 3 3 1 40 271.812 6
Hi High (pH 8-9.5) 2.08 2.63 -3.09 2 3 0 35 270.804 6
Mid Mid (pH 6-8) 2.08 4.75 -34.37 3 3 1 37 271.812 6
Lo Low (pH 4.5-6) 2.08 5.95 -118.61 4 3 2 41 272.82 6

Activity (Go SEA)

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