UCSF

ZINC04457362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 31 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) 3.52 10.16 -49.23 2 6 1 65 423.533 12
Hi High (pH 8-9.5) 3.52 7.97 -10.36 1 6 0 64 422.525 12

Activity (Go SEA)

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