UCSF

ZINC19479077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 0.92 5 -92.2 5 4 2 69 208.309 5
Hi High (pH 8-9.5) 0.92 5.04 -35.08 4 4 1 67 207.301 5

Activity (Go SEA)

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