UCSF

ZINC37011986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.85 5.34 -43.33 3 5 1 62 261.349 3
Hi High (pH 8-9.5) 0.85 4.05 -9.76 2 5 0 57 260.341 3
Mid Mid (pH 6-8) 0.85 5.63 -81.79 4 5 2 63 262.357 3

Activity (Go SEA)

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