UCSF

ZINC06316962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 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) 5.15 -3.92 -10.33 1 3 0 46 395.105 3
Hi High (pH 8-9.5) 5.15 -3.42 -41.04 0 3 -1 48 394.097 3

Activity (Go SEA)

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