UCSF

ZINC37004864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.10 4.92 -41.57 3 6 1 76 264.353 3
Hi High (pH 8-9.5) 0.10 3.55 -11.71 2 6 0 72 263.345 3

Activity (Go SEA)

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