UCSF

ZINC37810414

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) -1.57 -1.55 -45.68 5 7 1 111 271.341 4
Hi High (pH 8-9.5) -1.57 -1.9 -18.75 4 7 0 110 270.333 4

Activity (Go SEA)

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