UCSF

ZINC14428678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 26 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) 3.02 8.86 -28.28 2 6 0 71 358.462 6
Mid Mid (pH 6-8) 3.02 8.82 -14.19 1 6 0 70 357.454 6
Mid Mid (pH 6-8) 3.02 8.75 -14.04 1 6 0 70 357.454 6
Mid Mid (pH 6-8) 3.02 8.75 -13.99 1 6 0 70 357.454 6

Activity (Go SEA)

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