UCSF

ZINC34678656

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 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) 3.83 12.51 -32.22 2 7 1 66 401.922 3
Hi High (pH 8-9.5) 3.83 12.16 -11.42 1 7 0 65 400.914 3

Activity (Go SEA)

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