UCSF

ZINC29331975

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 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) -1.47 9.74 -35.65 0 3 1 20 287.427 4
Mid Mid (pH 6-8) -1.47 12.1 -119.14 1 3 2 22 288.435 4

Activity (Go SEA)

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