UCSF

ZINC40068094

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 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) -0.40 1.96 -59.55 1 8 -1 116 357.342 8
Lo Low (pH 4.5-6) -0.40 1.67 -43.84 3 8 1 114 359.358 8
Lo Low (pH 4.5-6) -0.40 1.21 -15.26 2 8 0 113 358.35 8
Lo Low (pH 4.5-6) -0.40 2.42 -67.69 2 8 0 117 358.35 8

Activity (Go SEA)

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