UCSF

ZINC11974465

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2008 25 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) 3.98 0.23 -17.1 1 4 0 45 334.419 3

Activity (Go SEA)

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