UCSF

ZINC17723859

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 28 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) 4.08 9.62 -65.79 1 6 -1 90 390.444 1
Ref Reference (pH 7) 3.15 10.14 -61.63 1 6 -1 87 390.444 2

Activity (Go SEA)

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