UCSF

ZINC42770310

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.87 10.24 -51.38 1 6 1 71 294.375 8
Hi High (pH 8-9.5) 2.87 7.78 -8.65 0 6 0 69 293.367 8

Activity (Go SEA)

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