UCSF

ZINC49801089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 14 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) 0.91 4.35 -103.95 3 3 2 29 202.342 5
Hi High (pH 8-9.5) 0.91 1.89 -31.56 2 3 1 28 201.334 5
Mid Mid (pH 6-8) 0.91 2.21 -34.36 2 3 1 28 201.334 5

Activity (Go SEA)

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