UCSF

ZINC63120851

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 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) 0.83 4.46 -172.91 5 6 3 75 284.428 5
Hi High (pH 8-9.5) 0.83 4.22 -99.85 4 6 2 74 283.42 5

Activity (Go SEA)

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