UCSF

ZINC37165855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 2.48 4.08 -32.59 3 2 1 37 226.365 3
Hi High (pH 8-9.5) 2.48 3.06 -3.12 2 2 0 32 225.357 3

Activity (Go SEA)

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