UCSF

ZINC21288172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 0.53 2.87 -19.05 2 7 0 97 294.336 5
Hi High (pH 8-9.5) 0.71 1.8 -44.67 1 7 -1 103 293.328 5

Activity (Go SEA)

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