UCSF

ZINC61994285

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 19 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) 2.54 6.55 -35.51 2 3 1 29 261.389 9
Mid Mid (pH 6-8) 2.54 7.46 -32.06 2 3 1 26 261.389 9
Mid Mid (pH 6-8) 2.54 8.85 -108.74 3 3 2 30 262.397 9

Activity (Go SEA)

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