UCSF

ZINC12358138

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 38 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) 5.25 13.8 -56.39 1 8 -1 114 513.57 13

Activity (Go SEA)

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