UCSF

ZINC21810303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.27 9.58 -51.22 2 2 1 26 288.798 7
Hi High (pH 8-9.5) 4.27 8.17 -4.81 1 2 0 21 287.79 7

Activity (Go SEA)

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