UCSF

ZINC03677096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 18 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) 2.85 6.91 -29.29 3 3 0 68 261.708 3
Hi High (pH 8-9.5) 2.85 6.71 -49.29 2 3 -1 66 260.7 3

Activity (Go SEA)

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