UCSF

ZINC37998274

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.07 3.54 -43.97 2 5 1 61 292.384 5
Hi High (pH 8-9.5) 1.07 2.11 -13.91 1 5 0 56 291.376 5

Activity (Go SEA)

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