UCSF

ZINC37081221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.71 3.92 -35.24 2 3 1 37 183.275 2
Hi High (pH 8-9.5) 0.71 2.8 -8.03 1 3 0 32 182.267 2

Activity (Go SEA)

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