UCSF

ZINC42259730

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 2.51 6.63 -59.98 3 4 1 62 304.37 4
Hi High (pH 8-9.5) 2.51 5.55 -13.76 2 4 0 58 303.362 4
Mid Mid (pH 6-8) 2.96 4 -50.01 2 4 0 65 303.362 4

Activity (Go SEA)

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