UCSF

ZINC12504006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 23 No

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) -2.33 -3.04 -145.26 4 12 -2 192 345.208 4
Mid Mid (pH 6-8) -2.33 -2.56 -128.48 5 12 -1 193 346.216 4
Lo Low (pH 4.5-6) -2.33 -2.76 -140.19 5 12 -1 193 346.216 4
Lo Low (pH 4.5-6) -2.33 -7.15 -145.12 5 12 -1 193 346.216 4
Lo Low (pH 4.5-6) -2.33 -2.28 -179.32 6 12 0 194 347.224 4
Lo Low (pH 4.5-6) -2.33 -6.67 -197.99 6 12 0 194 347.224 4

Activity (Go SEA)

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