UCSF

ZINC09272949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 No

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) 2.56 6.28 -55.45 3 7 1 92 488.358 6
Mid Mid (pH 6-8) 1.98 -3.72 -66.88 2 7 1 88 488.358 6

Activity (Go SEA)

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