UCSF

ZINC21792220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.20 4 -13.67 3 5 0 96 321.789 4
Hi High (pH 8-9.5) 2.20 4.08 -39.75 2 5 -1 98 320.781 4

Activity (Go SEA)

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