UCSF

ZINC23776838

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 25 No

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) 4.75 6.19 -44.69 1 5 -1 74 373.841 4
Hi High (pH 8-9.5) 4.75 6.99 -95.61 0 5 -2 76 372.833 4
Mid Mid (pH 6-8) 4.75 6.63 -18.07 2 5 0 71 374.849 4

Activity (Go SEA)

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