UCSF

ZINC24301035

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 30 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) 3.72 6.88 -19.51 2 6 0 88 449.504 7
Hi High (pH 8-9.5) 3.79 5.99 -44.96 1 6 -1 94 448.496 7

Activity (Go SEA)

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