UCSF

ZINC39941487

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 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) -0.70 0.38 -42.06 4 3 1 57 194.254 1

Activity (Go SEA)

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