UCSF

ZINC62038642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 29 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) 5.42 6.87 -15.89 3 6 0 95 449.985 4
Hi High (pH 8-9.5) 5.88 5.5 -47.35 2 6 -1 98 448.977 4

Activity (Go SEA)

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