UCSF

ZINC15919844

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) 2.66 6.24 -65.09 1 5 -1 81 350.394 6
Mid Mid (pH 6-8) 3.11 5.16 -30.11 2 5 0 78 351.402 5
Mid Mid (pH 6-8) 2.08 6.19 -21.78 1 5 0 75 351.402 6

Activity (Go SEA)

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