UCSF

ZINC25082608

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 33 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) 2.35 8.85 -55.07 3 8 1 98 454.547 10
Hi High (pH 8-9.5) 2.35 6.65 -19.83 2 8 0 97 453.539 10

Activity (Go SEA)

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