UCSF

ZINC04895352

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.51 3.72 -96.85 4 8 2 92 370.494 8
Hi High (pH 8-9.5) -1.51 2.39 -50.1 3 8 1 88 369.486 8
Hi High (pH 8-9.5) -1.51 0.96 -15.78 2 8 0 83 368.478 8

Activity (Go SEA)

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