UCSF

ZINC55628292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.06 4.2 -46.53 1 5 -1 77 382.259 5
Mid Mid (pH 6-8) 3.06 4.18 -15.74 2 5 0 75 383.267 5

Activity (Go SEA)

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