UCSF

ZINC20561277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 20 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) 3.21 8.92 -121.84 4 2 2 32 274.452 2
Hi High (pH 8-9.5) 3.21 8.62 -27.93 3 2 1 30 273.444 2

Activity (Go SEA)

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