UCSF

ZINC31977691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.78 4.38 -36.63 3 4 1 43 250.366 4
Mid Mid (pH 6-8) 1.78 1.92 -4.87 2 4 0 42 249.358 4
Mid Mid (pH 6-8) 1.78 4.31 -36.02 3 4 1 43 250.366 4

Activity (Go SEA)

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