UCSF

ZINC37796298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.27 7.5 -73.87 2 5 0 74 262.309 5
Lo Low (pH 4.5-6) 1.27 5.49 -42.46 3 5 1 71 263.317 5

Activity (Go SEA)

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