UCSF

ZINC43475172

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 1.70 2.8 -42.28 4 4 1 66 274.34 6
Hi High (pH 8-9.5) 1.70 2.5 -7.18 3 4 0 65 273.332 6

Activity (Go SEA)

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