UCSF

ZINC48970002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 2.26 6.23 -38.67 4 4 1 60 290.412 6
Hi High (pH 8-9.5) 2.26 4.14 -10.18 3 4 0 58 289.404 6

Activity (Go SEA)

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