UCSF

ZINC43248359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.06 5.47 -44.34 3 2 1 31 271.475 3
Hi High (pH 8-9.5) 2.06 4.62 -2.29 2 2 0 29 270.467 3

Activity (Go SEA)

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