UCSF

ZINC59722320

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 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) 1.69 5.79 -38.04 1 5 1 37 284.424 3
Hi High (pH 8-9.5) 1.69 3.42 -5.74 0 5 0 36 283.416 3

Activity (Go SEA)

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