UCSF

ZINC37988026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.71 6.44 -34.12 2 3 1 29 249.165 4
Hi High (pH 8-9.5) 2.71 4.15 -1.93 1 3 0 28 248.157 4

Activity (Go SEA)

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