UCSF

ZINC37791448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.03 5.48 -16.78 2 7 0 88 268.28 3
Lo Low (pH 4.5-6) 0.03 5.95 -33.39 3 7 1 90 269.288 3

Activity (Go SEA)

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