UCSF

ZINC25950977

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 25 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) 2.07 8.68 -40.36 2 6 1 68 343.451 5
Mid Mid (pH 6-8) 2.07 8.25 -21.98 1 6 0 67 342.443 5

Activity (Go SEA)

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