UCSF

ZINC30942244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 30 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) 2.38 4.59 -13.95 2 8 0 89 421.538 11
Mid Mid (pH 6-8) 2.38 5.4 -48.41 3 8 1 90 422.546 11

Activity (Go SEA)

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