UCSF

ZINC37033309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.83 3.74 -54.34 4 6 1 87 276.364 4
Hi High (pH 8-9.5) 0.83 3.41 -11.76 3 6 0 86 275.356 4

Activity (Go SEA)

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