UCSF

ZINC40421642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 35 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) 2.02 4.92 -61.43 6 9 1 143 526.749 14
Mid Mid (pH 6-8) 2.02 3.12 -16.67 5 9 0 139 525.741 14

Activity (Go SEA)

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