UCSF

ZINC42780445

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.15 2.69 -9.2 1 5 0 73 251.208 5
Hi High (pH 8-9.5) 0.34 3.65 -38.84 0 5 -1 80 250.2 5

Activity (Go SEA)

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