UCSF

ZINC26781303

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 20 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) 2.30 1.21 -38.17 4 4 1 66 355.199 7
Hi High (pH 8-9.5) 2.30 -0.12 -7.39 3 4 0 62 354.191 7

Activity (Go SEA)

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