UCSF

ZINC37828824

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 1.89 3.89 -9.49 1 5 0 53 348.285 6
Mid Mid (pH 6-8) 1.89 6.03 -44.81 2 5 1 54 349.293 6

Activity (Go SEA)

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