UCSF

ZINC35723893

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 38 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) 7.66 15.7 -17.38 2 6 0 84 526.706 12
Hi High (pH 8-9.5) 7.85 14.05 -48.11 1 6 -1 90 525.698 12

Activity (Go SEA)

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