UCSF

ZINC40881483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 30 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) 6.45 13.72 -14.39 1 4 0 51 434.948 6
Hi High (pH 8-9.5) 6.63 11.18 -42.15 0 4 -1 58 433.94 6

Activity (Go SEA)

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