UCSF

ZINC59102823

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 36 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) 8.05 15.59 -54.71 0 5 -1 70 494.627 15
Lo Low (pH 4.5-6) 8.05 14.83 -11.53 1 5 0 67 495.635 15

Activity (Go SEA)

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