UCSF

ZINC19850430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.95 5.07 -42.98 2 5 0 70 283.331 3
Mid Mid (pH 6-8) 1.95 6.15 -79.82 2 5 0 73 283.331 3
Mid Mid (pH 6-8) 1.95 4.8 -48.73 1 5 -1 68 282.323 3

Activity (Go SEA)

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