UCSF

ZINC33909697

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 19 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) -1.63 0.17 -53.85 6 5 1 96 277.373 4
Mid Mid (pH 6-8) -1.63 -0.17 -9.28 5 5 0 94 276.365 4

Activity (Go SEA)

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