UCSF

ZINC43707437

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 19 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) 1.54 5.46 -56.13 3 4 1 55 257.313 2
Hi High (pH 8-9.5) 1.54 4.11 -11.29 2 4 0 50 256.305 2

Activity (Go SEA)

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