UCSF

ZINC42848731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 24 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) 1.00 3.02 -12.55 2 7 0 88 331.372 5
Hi High (pH 8-9.5) 1.18 0.37 -44.16 1 7 -1 94 330.364 5

Activity (Go SEA)

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