UCSF

ZINC37711260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 2.82 5.27 -47.51 3 2 1 37 245.129 4
Hi High (pH 8-9.5) 2.82 4.89 -3.32 2 2 0 35 244.121 4

Activity (Go SEA)

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