UCSF

ZINC33364040

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 36 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) 4.29 9.59 -19.51 1 8 0 74 488.588 9
Mid Mid (pH 6-8) 4.29 11.92 -56.52 2 8 1 76 489.596 9

Activity (Go SEA)

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