UCSF

ZINC34358734

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 35 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) 5.43 13.02 -35.27 3 7 1 81 488.534 8
Hi High (pH 8-9.5) 5.43 12.72 -16.69 2 7 0 79 487.526 8

Activity (Go SEA)

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