UCSF

ZINC40067282

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 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) 1.28 3.21 -65.04 1 8 -1 108 418.447 8
Lo Low (pH 4.5-6) 1.28 2.32 -19.43 2 8 0 106 419.455 8

Activity (Go SEA)

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