UCSF

ZINC40864466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 36 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) 3.03 6.15 -61.01 4 7 1 105 526.601 8
Mid Mid (pH 6-8) 3.03 4.54 -16.68 3 7 0 104 525.593 8

Activity (Go SEA)

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