UCSF

ZINC31960785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.91 3.22 -91.26 7 6 2 98 321.469 4
Mid Mid (pH 6-8) 1.91 2.89 -46.6 6 6 1 97 320.461 4

Activity (Go SEA)

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