UCSF

ZINC42459937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.03 4.64 -81.41 5 4 2 69 208.309 4
Hi High (pH 8-9.5) 1.03 4.34 -31.91 4 4 1 68 207.301 4

Activity (Go SEA)

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