UCSF

ZINC12190093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2008 36 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) 3.36 -0.23 -70.42 2 8 1 83 486.596 8

Activity (Go SEA)

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