UCSF

ZINC40116350

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 24 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) 1.55 4.81 -52.13 1 8 -1 128 327.272 4
Lo Low (pH 4.5-6) 1.55 4.05 -14.22 2 8 0 125 328.28 4

Activity (Go SEA)

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