UCSF

ZINC35810079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 5.62 15.86 -63.62 1 4 1 34 493.618 9
Mid Mid (pH 6-8) 5.62 13.36 -9.89 0 4 0 33 492.61 9

Activity (Go SEA)

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