UCSF

ZINC42948156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 4.14 7.61 -46.68 3 2 1 37 297.205 4
Hi High (pH 8-9.5) 4.14 7.12 -3.44 2 2 0 35 296.197 4

Activity (Go SEA)

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