UCSF

ZINC40485520

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 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) 1.12 6.96 -67.3 2 5 0 77 258.362 9
Hi High (pH 8-9.5) 1.12 5.94 -52.61 1 5 -1 72 257.354 9

Activity (Go SEA)

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