UCSF

ZINC19972665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.87 9.17 -39.77 1 6 1 45 401.527 9
Mid Mid (pH 6-8) 2.87 9.1 -45.47 1 6 1 45 401.527 9
Mid Mid (pH 6-8) 2.87 6.78 -10.35 0 6 0 43 400.519 9

Activity (Go SEA)

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