UCSF

ZINC44693965

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.81 1.81 -42.19 3 5 1 65 270.349 9
Hi High (pH 8-9.5) 1.81 2.57 -45.22 2 5 0 67 269.341 9

Activity (Go SEA)

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