UCSF

ZINC37448123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 17 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) -2.58 0.77 -57.01 2 8 -1 126 240.195 4
Hi High (pH 8-9.5) -2.12 -1.1 -102.87 1 8 -2 129 239.187 4

Activity (Go SEA)

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