UCSF

ZINC34678553

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 1.30 10.84 -52.88 2 9 1 92 467.594 7
Hi High (pH 8-9.5) 1.49 8.55 -54.27 1 9 0 98 466.586 7

Activity (Go SEA)

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