UCSF

ZINC35085105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 2.36 6.02 -47.45 2 5 1 61 266.317 6
Hi High (pH 8-9.5) 2.36 4.85 -10.72 1 5 0 57 265.309 6

Activity (Go SEA)

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