UCSF

ZINC43609721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.71 12.73 -40.01 1 5 1 43 428 4
Lo Low (pH 4.5-6) 3.71 12.85 -94.76 2 5 2 44 429.008 4

Activity (Go SEA)

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