UCSF

ZINC33978639

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 14 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) 1.86 6.33 -44.68 2 3 1 43 200.302 6
Hi High (pH 8-9.5) 1.86 5.13 -4.44 1 3 0 38 199.294 6

Activity (Go SEA)

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