UCSF

ZINC37146866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 4.77 9.88 -37.28 1 2 1 28 237.411 7
Hi High (pH 8-9.5) 4.77 7.88 -3.97 0 2 0 27 236.403 7

Activity (Go SEA)

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