UCSF

ZINC23055286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 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) 2.90 8.23 -21.7 1 8 0 103 398.444 6
Mid Mid (pH 6-8) 2.90 8.3 -52.54 0 8 -1 105 397.436 6

Activity (Go SEA)

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