UCSF

ZINC15909523

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 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) 0.23 7.19 -42.61 1 4 1 38 236.339 6
Lo Low (pH 4.5-6) 0.23 7.16 -92.58 2 4 2 39 237.347 6

Activity (Go SEA)

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