UCSF

ZINC31943769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 1.32 4.35 -16.43 2 6 0 75 312.354 3
Lo Low (pH 4.5-6) 1.32 4.74 -37.22 3 6 1 76 313.362 3

Activity (Go SEA)

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