UCSF

ZINC41728962

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 1.19 6.23 -41.48 3 2 1 33 261.311 2
Hi High (pH 8-9.5) 1.19 5.92 -5.53 2 2 0 31 260.303 2

Activity (Go SEA)

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