UCSF

ZINC42773416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 No

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) 3.65 11.79 -37.43 1 5 1 53 314.837 8
Hi High (pH 8-9.5) 3.65 9.32 -8 0 5 0 52 313.829 8

Activity (Go SEA)

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