UCSF

ZINC35853308

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 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) 2.86 10.54 -50 2 5 1 50 415.561 8
Mid Mid (pH 6-8) 2.86 10.54 -52.28 2 5 1 50 415.561 8
Mid Mid (pH 6-8) 2.86 8.28 -13.73 1 5 0 48 414.553 8
Lo Low (pH 4.5-6) 2.86 10.89 -86.67 3 5 2 51 416.569 8

Activity (Go SEA)

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