UCSF

ZINC36871452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 0.69 3.35 -40.71 3 3 1 48 183.275 6
Hi High (pH 8-9.5) 0.69 3.01 -6.96 2 3 0 46 182.267 6

Activity (Go SEA)

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