UCSF

ZINC15919886

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 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) 2.37 6.11 -66.06 1 7 -1 107 394.403 7
Mid Mid (pH 6-8) 2.81 5.43 -27.8 2 7 0 104 395.411 6
Mid Mid (pH 6-8) 1.78 6.41 -21.03 1 7 0 101 395.411 7

Activity (Go SEA)

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