UCSF

ZINC08827804

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 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) 4.25 11.49 -57.05 0 9 -1 118 521.571 9
Mid Mid (pH 6-8) 3.67 0.7 -26 0 9 0 112 522.579 9

Activity (Go SEA)

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