UCSF

ZINC43608627

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) 2.30 10.89 -64.3 2 7 1 77 410.542 6
Hi High (pH 8-9.5) 2.30 8.99 -21.69 1 7 0 76 409.534 6

Activity (Go SEA)

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