UCSF

ZINC37815166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.38 -0.41 -45.04 5 7 1 111 285.368 5
Hi High (pH 8-9.5) -0.38 -0.73 -14.21 4 7 0 110 284.36 5

Activity (Go SEA)

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