UCSF

ZINC42684460

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 16 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) 1.52 6.11 -65.94 2 4 0 60 224.235 2
Hi High (pH 8-9.5) 1.52 4.41 -43.92 1 4 -1 55 223.227 2

Activity (Go SEA)

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