UCSF

ZINC41209337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) -0.38 1.02 -13.17 1 8 0 90 343.453 5
Mid Mid (pH 6-8) -0.38 3.23 -52.56 2 8 1 91 344.461 5

Activity (Go SEA)

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