UCSF

ZINC37087751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.46 9.04 -28.56 2 3 0 57 295.429 7
Hi High (pH 8-9.5) 3.46 8.11 -45.41 1 3 -1 52 294.421 7

Activity (Go SEA)

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