UCSF

ZINC03628875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 4.82 7.8 -43.28 3 3 1 45 326.46 6
Hi High (pH 8-9.5) 4.82 5.25 -5.95 2 3 0 44 325.452 6

Activity (Go SEA)

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