UCSF

ZINC21952595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 0.46 1.74 -53.84 2 5 1 57 236.361 5
Hi High (pH 8-9.5) 0.46 0.35 -8.69 1 5 0 53 235.353 5

Activity (Go SEA)

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