UCSF

ZINC15919943

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 2.36 5.97 -60.59 1 5 -1 81 354.357 5
Mid Mid (pH 6-8) 2.80 4.92 -24.63 2 5 0 78 355.365 4
Mid Mid (pH 6-8) 1.77 5.92 -17.53 1 5 0 75 355.365 5

Activity (Go SEA)

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