UCSF

ZINC31909244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 1.48 4.75 -55.52 0 6 -1 70 308.745 4
Mid Mid (pH 6-8) 1.48 5.14 -45.29 1 6 0 71 309.753 4
Lo Low (pH 4.5-6) 1.48 7.54 -69.66 2 6 1 72 310.761 4

Activity (Go SEA)

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