UCSF

ZINC30672612

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 31 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) 5.11 13.71 -56.71 1 6 -1 73 446.581 7
Lo Low (pH 4.5-6) 4.38 13.87 -24.27 2 6 0 76 447.589 7

Activity (Go SEA)

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