UCSF

ZINC45647941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) -0.40 0.84 -55.75 4 5 1 83 287.405 7
Hi High (pH 8-9.5) -0.40 0.55 -9.37 3 5 0 81 286.397 7

Activity (Go SEA)

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