UCSF

ZINC34959530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) -0.21 3.54 -35.36 3 5 0 86 285.097 3
Mid Mid (pH 6-8) -0.21 2.29 -48.48 2 5 -1 81 284.089 3

Activity (Go SEA)

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