UCSF

ZINC49573588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 27 No

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) 1.23 4.64 -44.85 3 7 1 102 379.421 4
Hi High (pH 8-9.5) 1.23 6.79 -44.86 2 7 0 105 378.413 4

Activity (Go SEA)

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