UCSF

ZINC05865941

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 27 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) 2.87 7.36 -17.07 3 7 0 100 381.461 6
Hi High (pH 8-9.5) 2.87 7.16 -51.89 2 7 -1 98 380.453 6

Activity (Go SEA)

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