UCSF

ZINC57801276

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 24 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) 4.62 10.67 -41.85 2 3 1 35 326.46 6
Hi High (pH 8-9.5) 4.62 9.79 -5.21 1 3 0 30 325.452 6

Activity (Go SEA)

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