UCSF

ZINC10065731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 24 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) 4.06 11.51 -57.77 1 4 1 38 340.472 5
Hi High (pH 8-9.5) 4.06 8.99 -15.12 0 4 0 36 339.464 5

Activity (Go SEA)

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