UCSF

ZINC20873936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 5.39 12.71 -40.55 2 3 1 35 382.911 8
Mid Mid (pH 6-8) 5.39 11.25 -6.8 1 3 0 30 381.903 8

Activity (Go SEA)

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