UCSF

ZINC06446749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 33 Yes

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) 7.24 16.55 -51.61 1 4 -1 69 447.539 6
Mid Mid (pH 6-8) 7.24 16.47 -51.99 1 4 -1 69 447.539 6
Mid Mid (pH 6-8) 7.24 17 -58.56 2 4 0 70 448.547 6

Activity (Go SEA)

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