UCSF

ZINC59971813

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 11 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) -1.80 4.38 -50.44 0 4 -1 60 154.145 3

Activity (Go SEA)

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