UCSF

ZINC39869013

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.55 10.31 -12.69 1 5 0 64 402.347 9
Hi High (pH 8-9.5) 5.61 8.63 -42.27 0 5 -1 70 401.339 9

Activity (Go SEA)

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