UCSF

ZINC36851276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.71 5.44 -55.32 2 5 1 63 275.328 5
Hi High (pH 8-9.5) 0.71 4.17 -11.54 1 5 0 59 274.32 5

Activity (Go SEA)

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