UCSF

ZINC36748934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 2.53 6.33 -4.61 2 4 0 47 236.363 3
Mid Mid (pH 6-8) 2.53 6.45 -23.83 3 4 1 48 237.371 3

Activity (Go SEA)

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