UCSF

ZINC34378414

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.90 13.31 -63.6 0 4 -1 60 394.45 5
Lo Low (pH 4.5-6) 4.90 12.42 -14.38 1 4 0 58 395.458 5

Activity (Go SEA)

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