UCSF

ZINC48575103

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.35 2.86 -47.05 3 5 1 68 242.343 6
Hi High (pH 8-9.5) -0.35 0.62 -16.22 2 5 0 67 241.335 6

Activity (Go SEA)

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