UCSF

ZINC37376727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 1.43 3.85 -109.91 4 5 2 60 284.4 7
Mid Mid (pH 6-8) 1.43 1.13 -40.77 3 5 1 59 283.392 7
Mid Mid (pH 6-8) 1.43 3.47 -26.38 3 5 1 58 283.392 7

Activity (Go SEA)

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