UCSF

ZINC20485546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 3.93 7.25 -47.22 3 3 1 48 255.426 7
Hi High (pH 8-9.5) 3.93 7.13 -5.54 2 3 0 46 254.418 7

Activity (Go SEA)

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