UCSF

ZINC40138193

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 4.72 12.31 -18.6 1 7 0 82 443.503 9
Ref Reference (pH 7) 4.72 12.18 -26.17 1 7 0 82 443.503 9

Activity (Go SEA)

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