UCSF

ZINC42741652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 25 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) 2.21 8.57 -47.18 1 6 1 58 364.853 3
Hi High (pH 8-9.5) 2.21 6.18 -11.85 0 6 0 57 363.845 3

Activity (Go SEA)

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