UCSF

ZINC42460205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.31 2.76 -12.54 1 5 0 63 210.233 4
Hi High (pH 8-9.5) 0.31 1.92 -31.51 1 5 0 67 210.233 4
Mid Mid (pH 6-8) 0.31 3.77 -56.55 0 5 -1 65 209.225 4
Lo Low (pH 4.5-6) 0.31 1.15 -11.87 2 5 0 64 211.241 4

Activity (Go SEA)

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