UCSF

ZINC41569931

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 1.39 6.65 -57.92 3 6 1 76 357.459 4
Mid Mid (pH 6-8) 1.39 4.38 -22.18 2 6 0 74 356.451 4

Activity (Go SEA)

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