UCSF

ZINC31817828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 29 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) 4.28 11.33 -17.3 1 5 0 56 389.43 6
Lo Low (pH 4.5-6) 4.28 11.76 -36.57 2 5 1 57 390.438 6

Activity (Go SEA)

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