UCSF

ZINC34530795

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 No

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) 2.49 6.84 -49.27 0 2 -1 40 167.228 2
Lo Low (pH 4.5-6) 2.49 4.83 -4.99 1 2 0 37 168.236 2

Activity (Go SEA)

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