UCSF

ZINC15920069

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 30 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) 2.09 5.36 -61.27 1 9 -1 136 411.39 8
Mid Mid (pH 6-8) 2.54 4.6 -32.9 2 9 0 133 412.398 7
Mid Mid (pH 6-8) 1.51 5.33 -18.2 1 9 0 130 412.398 8

Activity (Go SEA)

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