UCSF

ZINC39886141

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 22 No

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) 4.22 8.25 -7.66 1 3 0 45 316.332 2
Mid Mid (pH 6-8) 4.68 6.7 -39.41 0 3 -1 48 315.324 2

Activity (Go SEA)

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