UCSF

ZINC15069879

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 29 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) 3.33 10.98 -57.54 1 6 1 61 387.511 4
Mid Mid (pH 6-8) 3.33 11.41 -97.94 2 6 2 62 388.519 4
Lo Low (pH 4.5-6) 3.33 11.26 -113.01 2 6 2 62 388.519 4
Lo Low (pH 4.5-6) 3.33 11.69 -193.79 3 6 3 63 389.527 4

Activity (Go SEA)

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