UCSF

ZINC41655545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.87 9.1 -57.41 1 4 0 57 270.332 2
Mid Mid (pH 6-8) 2.87 6.67 -56.68 0 4 -1 56 269.324 2

Activity (Go SEA)

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