UCSF

ZINC34943196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 4.83 15.07 -14.6 0 5 0 44 501.646 9
Lo Low (pH 4.5-6) 4.83 17.09 -50.02 1 5 1 45 502.654 9

Activity (Go SEA)

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