UCSF

ZINC37282669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.07 4.84 -47.47 3 5 1 68 289.355 4
Hi High (pH 8-9.5) 2.07 4.48 -13.03 2 5 0 63 288.347 4

Activity (Go SEA)

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