UCSF

ZINC41672515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.36 4.52 -42.32 2 4 1 46 255.363 5
Hi High (pH 8-9.5) 1.36 3.17 -6.05 1 4 0 42 254.355 5

Activity (Go SEA)

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