UCSF

ZINC36677528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 0.59 6.6 -109.26 4 5 2 61 251.378 5
Hi High (pH 8-9.5) 0.59 4.32 -5.73 2 5 0 58 249.362 5
Mid Mid (pH 6-8) 0.59 4.72 -47.26 3 5 1 60 250.37 5

Activity (Go SEA)

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