UCSF

ZINC19367774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 Yes

Other Names:

MFCD00025544

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) 0.50 -1.08 -120.09 6 3 2 64 162.277 4
Hi High (pH 8-9.5) 0.50 -2.25 -40.2 5 3 1 60 161.269 4
Mid Mid (pH 6-8) 0.50 -1.34 -37.75 5 3 1 63 161.269 4

Activity (Go SEA)

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