UCSF

ZINC37801775

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) 1.07 4.52 -45.62 3 4 1 61 260.361 4
Hi High (pH 8-9.5) 1.07 4.32 -6.92 2 4 0 59 259.353 4
Lo Low (pH 4.5-6) 1.07 4.98 -94.78 4 4 2 62 261.369 4

Activity (Go SEA)

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