UCSF

ZINC41720317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) 3.68 7.08 -26.85 2 2 1 26 215.32 4
Hi High (pH 8-9.5) 3.68 6.64 -6.33 1 2 0 25 214.312 4

Activity (Go SEA)

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