UCSF

ZINC04258612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 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) 2.21 8.9 -114.87 0 6 -2 98 300.314 5

Activity (Go SEA)

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