UCSF

ZINC33811002

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 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) 5.66 13.97 -22.49 1 5 0 69 431.513 7

Activity (Go SEA)

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