UCSF

ZINC34350981

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 23 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) -0.56 -0.43 -138.98 3 11 -2 172 363.654 4
Mid Mid (pH 6-8) -0.56 -1.58 -48.75 4 11 -1 169 364.662 4

Activity (Go SEA)

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