UCSF

ZINC06239327

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.88 -1.14 -61.64 2 8 -1 127 436.44 9
Mid Mid (pH 6-8) 1.88 -1.17 -71.63 2 8 -1 127 436.44 8
Mid Mid (pH 6-8) 1.29 -1.36 -71.86 1 8 -1 124 436.44 9

Activity (Go SEA)

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