UCSF

ZINC37084338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.71 4.32 -41.43 3 3 1 40 247.362 2
Hi High (pH 8-9.5) 0.71 4.05 -2.85 2 3 0 38 246.354 2
Mid Mid (pH 6-8) 0.71 5.82 -35.39 3 3 1 40 247.362 2
Mid Mid (pH 6-8) 0.71 6.12 -120.86 4 3 2 41 248.37 2

Activity (Go SEA)

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