UCSF

ZINC08820880

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 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) 7.34 13.08 -10.07 1 5 0 64 479.001 7
Mid Mid (pH 6-8) 6.85 12.96 -45.08 0 5 -1 63 477.993 8

Activity (Go SEA)

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