UCSF

ZINC15319667

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) 4.52 11.12 -11.85 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.70 10.91 -13.2 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.70 11.74 -18.7 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.52 11.11 -13.65 0 6 0 82 455.507 6

Activity (Go SEA)

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