UCSF

ZINC59139125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 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) -0.24 1.16 -48.88 2 6 -1 99 238.219 5

Activity (Go SEA)

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