UCSF

ZINC36878244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.25 6.49 -82.01 5 4 2 67 275.396 8
Mid Mid (pH 6-8) 2.25 6.36 -49.42 4 4 1 66 274.388 8

Activity (Go SEA)

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