UCSF

ZINC21807363

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) 4.28 10.29 -43.67 2 2 1 26 282.407 6
Hi High (pH 8-9.5) 4.28 8.97 -3.56 1 2 0 21 281.399 6

Activity (Go SEA)

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