UCSF

ZINC43609569

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 32 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) 4.34 14.69 -53.47 1 4 1 38 426.584 5
Lo Low (pH 4.5-6) 4.34 15.16 -102.27 2 4 2 39 427.592 5

Activity (Go SEA)

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