UCSF

ZINC15225635

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 25 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) 1.05 -3.78 -49.42 3 9 -1 144 337.271 2
Ref Reference (pH 7) -0.76 1.42 -22.03 4 9 0 141 338.279 2
Lo Low (pH 4.5-6) 0.14 -1.69 -18.78 4 9 0 141 338.279 2

Activity (Go SEA)

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