UCSF

ZINC40975205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 19 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) 2.62 1.79 -4.31 2 3 0 50 268.397 0

Activity (Go SEA)

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