UCSF

ZINC55551759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 4.03 11.58 -24.73 1 8 0 96 441.491 5
Mid Mid (pH 6-8) 4.03 12.01 -40.86 2 8 1 97 442.499 5

Activity (Go SEA)

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