UCSF

ZINC23399497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 28 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) 3.94 12.34 -88.79 3 4 2 38 384.564 9
Hi High (pH 8-9.5) 3.94 9.93 -41.92 2 4 1 37 383.556 9

Activity (Go SEA)

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