UCSF

ZINC43994566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.36 9.28 -100.31 3 3 2 36 245.37 5
Hi High (pH 8-9.5) 2.36 8.36 -7.11 1 3 0 30 243.354 5
Mid Mid (pH 6-8) 2.36 8.8 -52.44 2 3 1 34 244.362 5

Activity (Go SEA)

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