UCSF

ZINC41710330

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 3.64 7.7 -8.46 1 3 0 42 294.807 4
Hi High (pH 8-9.5) 3.82 6.48 -41.04 0 3 -1 48 293.799 4

Activity (Go SEA)

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