UCSF

ZINC19959857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 1.47 4.95 -32.97 3 4 1 46 260.361 4
Mid Mid (pH 6-8) 1.47 4.1 -38.38 3 4 1 49 260.361 4
Mid Mid (pH 6-8) 1.47 6.29 -112.23 4 4 2 50 261.369 4

Activity (Go SEA)

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