UCSF

ZINC31554832

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 3.53 6.64 -6.7 0 3 0 36 286.419 6
Mid Mid (pH 6-8) 3.53 8.91 -43.29 1 3 1 37 287.427 6

Activity (Go SEA)

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