UCSF

ZINC34678613

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 24 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) 3.48 12.07 -46.98 2 5 1 49 330.5 2
Hi High (pH 8-9.5) 3.48 10.68 -5.46 1 5 0 44 329.492 2

Activity (Go SEA)

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