UCSF

ZINC38277031

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 19 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) 3.32 5.61 -40.47 2 3 1 29 275.294 3
Hi High (pH 8-9.5) 3.32 4.36 -1.68 1 3 0 24 274.286 3

Activity (Go SEA)

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