UCSF

ZINC20478367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 18 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) 2.35 8.52 -41.03 1 3 1 25 288.198 1
Hi High (pH 8-9.5) 2.35 6.52 -8.37 0 3 0 24 287.19 1

Activity (Go SEA)

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