UCSF

ZINC33713637

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 3.24 7.64 -13.87 1 6 0 59 426.467 7
Mid Mid (pH 6-8) 3.24 9.98 -55.82 2 6 1 61 427.475 7

Activity (Go SEA)

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