UCSF

ZINC42206518

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) -1.24 -1.03 -53.69 4 6 1 84 232.304 9
Mid Mid (pH 6-8) -1.24 -2.38 -16.22 3 6 0 79 231.296 9

Activity (Go SEA)

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