UCSF

ZINC25520611

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 2.56 7.12 -16.75 1 6 0 75 397.5 3
Mid Mid (pH 6-8) 2.56 7.51 -42.37 2 6 1 77 398.508 3

Activity (Go SEA)

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