UCSF

ZINC40113683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 4.88 11.34 -14.93 0 4 0 36 383.561 4
Lo Low (pH 4.5-6) 4.88 12.29 -25.71 1 4 1 38 384.569 4

Activity (Go SEA)

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