UCSF

ZINC15320357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 32 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) 4.54 11.89 -9.6 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.72 11.66 -9.72 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.72 12.6 -9.93 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.54 11.85 -10.74 0 6 0 82 455.507 6

Activity (Go SEA)

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