UCSF

ZINC37039397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.09 4.22 -109 4 5 2 62 231.34 4
Hi High (pH 8-9.5) -0.09 3.87 -38.97 3 5 1 60 230.332 4
Mid Mid (pH 6-8) -0.09 2.64 -47.37 3 5 1 60 230.332 4

Activity (Go SEA)

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