UCSF

ZINC36138361

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 Yes

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) 0.77 4.76 -54.87 0 5 -1 64 281.254 6
Lo Low (pH 4.5-6) 0.77 6.83 -84 1 5 0 65 282.262 6

Activity (Go SEA)

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