UCSF

ZINC15320351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.03 11.03 -12.89 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.21 10.81 -12.71 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.21 11.74 -13.19 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.03 10.98 -13.94 0 8 0 101 497.569 8

Activity (Go SEA)

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