UCSF

ZINC37824516

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.70 4.35 -53.53 2 6 1 73 295.407 9
Hi High (pH 8-9.5) -0.70 2.99 -13.47 1 6 0 69 294.399 9
Mid Mid (pH 6-8) -0.70 6.62 -110.63 3 6 2 74 296.415 9

Activity (Go SEA)

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