UCSF

ZINC58308208

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 No

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) 3.37 10.71 -42.17 1 5 1 53 330.33 4
Hi High (pH 8-9.5) 3.37 8.4 -5.47 0 5 0 52 329.322 4

Activity (Go SEA)

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