UCSF

ZINC15781583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 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) 4.34 12.38 -91.13 2 5 2 44 352.482 7
Hi High (pH 8-9.5) 4.34 9.57 -9.31 0 5 0 41 350.466 7
Mid Mid (pH 6-8) 4.34 12.38 -79.93 2 5 2 44 352.482 7

Activity (Go SEA)

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