UCSF

ZINC69079111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 15 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) 3.10 7.62 -29.06 1 2 1 14 212.357 6

Activity (Go SEA)

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