UCSF

ZINC01290994

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 31 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) 5.63 11.68 -16.85 1 5 0 66 453.633 4
Mid Mid (pH 6-8) 6.08 10.44 -48.51 0 5 -1 69 452.625 4

Activity (Go SEA)

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