UCSF

ZINC37040506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 Yes

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) -0.16 -1.28 -47.39 5 4 1 77 181.215 2
Hi High (pH 8-9.5) -0.16 -1.59 -10.09 4 4 0 75 180.207 2

Activity (Go SEA)

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