UCSF

ZINC55269010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 22 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) 1.67 6.74 -58.81 1 6 1 68 345.466 6
Mid Mid (pH 6-8) 1.67 4.52 -16.25 0 6 0 67 344.458 6

Activity (Go SEA)

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