UCSF

ZINC37822072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.14 0.97 -48.79 3 6 1 83 322.476 5
Mid Mid (pH 6-8) 0.14 -0.15 -17.32 2 6 0 79 321.468 5

Activity (Go SEA)

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