UCSF

ZINC09983815

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 29 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) 2.67 9.9 -49.7 2 6 1 63 396.511 9
Hi High (pH 8-9.5) 2.67 7.57 -12.33 1 6 0 62 395.503 9

Activity (Go SEA)

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