UCSF

ZINC03188794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 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) 3.81 5.12 -48.65 2 5 -1 85 315.393 8
Lo Low (pH 4.5-6) 3.81 4.32 -10.52 3 5 0 82 316.401 8

Activity (Go SEA)

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