UCSF

ZINC04249112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 24 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) 2.12 -5.8 -19.57 1 6 0 76 358.448 4
Hi High (pH 8-9.5) 2.12 -5.23 -58.21 0 6 -1 78 357.44 4

Activity (Go SEA)

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