UCSF

ZINC62127114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 18 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) -0.64 4.94 -47.39 1 6 1 48 257.358 3
Hi High (pH 8-9.5) -0.64 2.41 -12.48 0 6 0 47 256.35 3

Activity (Go SEA)

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