UCSF

ZINC19391320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.57 3.65 -53.58 0 4 -1 60 158.177 4

Activity (Go SEA)

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