UCSF

ZINC21640388

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 31 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) 4.59 13.16 -51.71 1 5 1 37 418.54 5
Hi High (pH 8-9.5) 4.59 10.83 -8.19 0 5 0 35 417.532 5

Activity (Go SEA)

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