UCSF

ZINC38529833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 27 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) 1.05 10.22 -12.23 0 7 0 65 366.469 3
Lo Low (pH 4.5-6) 1.05 10.58 -39.39 1 7 1 67 367.477 3

Activity (Go SEA)

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