UCSF

ZINC42912568

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.98 8.56 -124.73 4 2 2 32 266.404 4
Hi High (pH 8-9.5) 2.98 8.29 -37.02 3 2 1 30 265.396 4

Activity (Go SEA)

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