UCSF

ZINC36889472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) 2.32 6.6 -41.89 3 1 1 28 226.409 5
Hi High (pH 8-9.5) 2.32 6.32 -1.32 2 1 0 26 225.401 5

Activity (Go SEA)

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