UCSF

ZINC35364559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) 1.79 6.9 -35.33 3 4 1 57 237.323 7
Hi High (pH 8-9.5) 1.79 4.87 -7.37 2 4 0 56 236.315 7

Activity (Go SEA)

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