UCSF

ZINC04972141

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 30 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) 3.94 8.44 -13.95 1 5 0 65 397.478 5
Ref Reference (pH 7) 4.12 10.41 -14.66 1 5 0 62 397.478 5

Activity (Go SEA)

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