UCSF

ZINC43441924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 3.07 7.37 -41.67 3 5 1 72 293.387 7
Mid Mid (pH 6-8) 3.07 6.23 -10.84 2 5 0 67 292.379 7

Activity (Go SEA)

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