UCSF

ZINC39371949

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 29 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) 3.34 6.88 -30.39 2 6 1 63 389.479 5
Mid Mid (pH 6-8) 3.34 4.73 -10.64 1 6 0 62 388.471 5

Activity (Go SEA)

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