UCSF

ZINC16695777

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 34 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) 4.30 11.57 -29.96 1 6 0 76 465.582 5
Hi High (pH 8-9.5) 4.76 12.56 -62.27 0 6 -1 80 464.574 5

Activity (Go SEA)

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