UCSF

ZINC37789209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.62 6.76 -72.48 2 7 0 91 294.355 8
Hi High (pH 8-9.5) 0.62 4.58 -55.24 1 7 -1 90 293.347 8
Lo Low (pH 4.5-6) 0.62 4.82 -51.84 3 7 1 89 295.363 8

Activity (Go SEA)

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