UCSF

ZINC37876781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.12 4.19 -9.58 2 4 0 65 282.343 6
Lo Low (pH 4.5-6) 2.12 5.6 -57.01 3 4 1 70 283.351 6

Activity (Go SEA)

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