UCSF

ZINC04248140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 2.37 6 -39.13 3 5 1 68 301.395 4
Hi High (pH 8-9.5) 2.37 4.94 -10.52 2 5 0 66 300.387 4
Hi High (pH 8-9.5) 2.55 4.28 -30.32 2 5 0 74 300.387 4
Hi High (pH 8-9.5) 2.55 3.17 -47.51 1 5 -1 73 299.379 4

Activity (Go SEA)

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