UCSF

ZINC37980682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 14 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) 2.76 5.93 -7.38 1 2 0 36 188.274 4
Lo Low (pH 4.5-6) 2.76 7.05 -51.02 2 2 1 40 189.282 4

Activity (Go SEA)

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