UCSF

ZINC25399953

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 Yes

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) 2.39 6.48 -13.2 1 5 0 55 372.49 5
Mid Mid (pH 6-8) 2.39 8.66 -50.35 2 5 1 56 373.498 5

Activity (Go SEA)

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