UCSF

ZINC57586250

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 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) 3.12 10.37 -42.92 2 4 1 47 341.475 5

Activity (Go SEA)

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