UCSF

ZINC04382864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 25 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) 6.16 13.17 -7.12 1 3 0 29 353.897 3
Mid Mid (pH 6-8) 6.16 13.61 -24.05 2 3 1 31 354.905 3

Activity (Go SEA)

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