UCSF

ZINC40111548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 2.87 6.36 -58.05 0 8 -1 107 489.595 8
Lo Low (pH 4.5-6) 2.87 5.61 -17.01 1 8 0 104 490.603 8

Activity (Go SEA)

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