UCSF

ZINC04016001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 37 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) 8.50 2.68 -12.05 1 5 0 50 511.021 5

Activity (Go SEA)

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