UCSF

ZINC39881678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 38 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) 7.17 14.49 -37.72 2 7 1 80 500.582 6
Mid Mid (pH 6-8) 7.17 13.28 -18.34 1 7 0 79 499.574 6
Mid Mid (pH 6-8) 7.17 14.41 -19.07 1 7 0 79 499.574 6

Activity (Go SEA)

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