UCSF

ZINC20452288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 30 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) 3.82 13.13 -40.99 1 4 1 28 426.65 7
Hi High (pH 8-9.5) 3.82 10.85 -8.92 0 4 0 27 425.642 7

Activity (Go SEA)

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