UCSF

ZINC41583838

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

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) 5.85 13.45 -39.41 2 6 1 85 511.392 3
Hi High (pH 8-9.5) 5.85 14.23 -26.35 1 6 0 88 510.384 3

Activity (Go SEA)

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