UCSF

ZINC37143944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 No

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) 2.27 8.41 -37.96 3 3 1 40 293.456 6
Hi High (pH 8-9.5) 2.27 6.14 -11.69 2 3 0 38 292.448 6

Activity (Go SEA)

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