UCSF

ZINC41584305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.32 5.73 -13.62 1 8 0 91 457.523 11
Hi High (pH 8-9.5) 3.32 4.96 -53 0 8 -1 93 456.515 11
Mid Mid (pH 6-8) 3.32 6.4 -39.8 2 8 1 92 458.531 11
Mid Mid (pH 6-8) 3.32 7.19 -36.41 1 8 0 95 457.523 11

Activity (Go SEA)

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