UCSF

ZINC33355370

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2009 47 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) 6.74 15.82 -23.1 2 8 0 94 620.709 9
Mid Mid (pH 6-8) 7.20 15.87 -144.27 0 8 -2 100 618.693 9
Mid Mid (pH 6-8) 7.20 14.7 -18.26 2 8 0 95 620.709 9
Mid Mid (pH 6-8) 6.29 17.79 -24.99 2 8 0 94 620.709 9

Activity (Go SEA)

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