UCSF

ZINC41666278

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 2.29 8.17 -16.17 0 7 0 82 394.427 6
Lo Low (pH 4.5-6) 2.29 11.03 -55.17 1 7 1 83 395.435 6

Activity (Go SEA)

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