UCSF

ZINC41392382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 16 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) 2.54 8.23 -41.69 1 2 1 18 220.267 4

Activity (Go SEA)

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