UCSF

ZINC01157793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 25 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) 4.37 13.86 -110.2 2 2 2 9 356.579 7
Hi High (pH 8-9.5) 4.37 12.21 -42.29 1 2 1 8 355.571 7

Activity (Go SEA)

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