UCSF

ZINC20724660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 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) 2.34 8.02 -16.87 1 7 0 85 363.421 4
Ref Reference (pH 7) 2.16 10.76 -15.04 1 7 0 82 363.421 4

Activity (Go SEA)

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