UCSF

ZINC51502058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 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) 0.09 4.24 -44.52 2 6 1 57 299.439 8
Mid Mid (pH 6-8) 0.09 2.04 -14.62 1 6 0 56 298.431 8
Mid Mid (pH 6-8) 0.09 4.32 -45.02 2 6 1 57 299.439 8

Activity (Go SEA)

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