UCSF

ZINC08104846

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 22 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) 3.29 6.04 -48.95 0 6 -1 94 327.288 4
Lo Low (pH 4.5-6) 3.29 5.61 -15.77 1 6 0 92 328.296 4

Activity (Go SEA)

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