UCSF

ZINC42680906

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 15 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) 0.95 5.18 -34.72 1 3 1 25 213.345 5
Hi High (pH 8-9.5) 0.95 5.4 -38.12 1 3 1 25 213.345 5

Activity (Go SEA)

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