UCSF

ZINC19642218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 13 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) 1.64 5.39 -31.25 1 2 1 8 183.319 1
Hi High (pH 8-9.5) 1.64 3.12 -1.16 0 2 0 6 182.311 1

Activity (Go SEA)

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