UCSF

ZINC12040501

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 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) 3.75 2.5 -61.44 1 6 1 60 427.565 7

Activity (Go SEA)

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