UCSF

ZINC24763951

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 23 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) 0.31 -0.36 -51.48 4 7 1 105 342.441 5
Hi High (pH 8-9.5) 0.31 -2.59 -14.99 3 7 0 104 341.433 5

Activity (Go SEA)

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