UCSF

ZINC33822200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 21 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) 6.39 15.04 -48.51 0 2 -1 40 285.407 8
Lo Low (pH 4.5-6) 6.39 13.06 -10.72 1 2 0 37 286.415 8

Activity (Go SEA)

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