UCSF

ZINC06705556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 23 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) 3.48 9.89 -46.73 2 4 1 46 311.453 3
Hi High (pH 8-9.5) 3.48 8.58 -6.97 1 4 0 41 310.445 3
Mid Mid (pH 6-8) 3.48 10.21 -83.87 3 4 2 47 312.461 3

Activity (Go SEA)

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