UCSF

ZINC37501217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 26 No

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) 1.76 1.68 -50.8 1 7 -1 104 355.301 3
Hi High (pH 8-9.5) 1.76 2.6 -105.78 0 7 -2 107 354.293 3

Activity (Go SEA)

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