UCSF

ZINC19808986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

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) 5.75 12.71 -48.07 1 3 1 13 456.985 7
Mid Mid (pH 6-8) 5.75 12.72 -41.66 1 3 1 13 456.985 7
Mid Mid (pH 6-8) 5.75 10.44 -5.88 0 3 0 11 455.977 7

Activity (Go SEA)

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