UCSF

ZINC05950753

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 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) 3.90 4.53 -12.64 2 6 0 85 384.428 5
Hi High (pH 8-9.5) 3.90 5.59 -45.82 1 6 -1 88 383.42 5

Activity (Go SEA)

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