UCSF

ZINC31361991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 19 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) 1.64 3.54 -9.87 1 4 0 42 260.337 3
Lo Low (pH 4.5-6) 1.64 5.74 -39.21 2 4 1 43 261.345 3

Activity (Go SEA)

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