UCSF

ZINC11535816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 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) 1.31 -0.79 -11.28 1 3 0 42 186.214 1
Lo Low (pH 4.5-6) 1.31 -0.7 -34.73 2 3 1 43 187.222 1

Activity (Go SEA)

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