UCSF

ZINC43454569

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 4.12 9.35 -92.65 4 2 2 32 264.457 9
Hi High (pH 8-9.5) 4.12 8.95 -35.96 3 2 1 30 263.449 9

Activity (Go SEA)

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