UCSF

ZINC42691209

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) 1.56 3.7 -31.82 3 4 1 71 224.328 6
Hi High (pH 8-9.5) 1.56 1.95 -7.63 2 4 0 70 223.32 6

Activity (Go SEA)

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