UCSF

ZINC05160835

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 27 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) 3.61 4.9 -10.49 3 6 0 97 378.819 3
Lo Low (pH 4.5-6) 3.61 5.22 -60.57 4 6 1 99 379.827 3

Activity (Go SEA)

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