UCSF

ZINC39908707

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 4.74 7.01 -52.22 1 8 -1 120 517.612 6
Hi High (pH 8-9.5) 4.74 7.01 -132.02 0 8 -2 122 516.604 6
Mid Mid (pH 6-8) 4.74 7.37 -58.72 2 8 0 121 518.62 6

Activity (Go SEA)

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