UCSF

ZINC56229505

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2010 25 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) 1.98 9.45 -18.05 0 7 0 74 333.351 5

Activity (Go SEA)

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