UCSF

ZINC43444744

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) -1.15 4.01 -35.15 2 5 0 68 270.373 6
Mid Mid (pH 6-8) -1.15 4.11 -69.41 2 5 0 68 270.373 6
Lo Low (pH 4.5-6) -1.15 6.22 -78.21 3 5 1 69 271.381 6

Activity (Go SEA)

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