UCSF

ZINC04148386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 2.85 8.44 -34.05 1 6 0 79 397.5 4
Hi High (pH 8-9.5) 2.19 -3.86 -47.01 0 6 -1 80 396.492 4

Activity (Go SEA)

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