UCSF

ZINC34684865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 5.59 13.11 -9.75 1 4 0 36 481.562 7
Mid Mid (pH 6-8) 5.59 15.35 -50.87 2 4 1 37 482.57 7
Mid Mid (pH 6-8) 5.59 13.14 -40.24 2 4 1 37 482.57 7

Activity (Go SEA)

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