UCSF

ZINC20861983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.42 4.54 -15.55 1 7 0 67 404.536 5
Mid Mid (pH 6-8) 1.42 6.81 -51.5 2 7 1 68 405.544 5

Activity (Go SEA)

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