UCSF

ZINC08973165

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 3.04 10.66 -55.19 2 9 1 117 466.514 7
Mid Mid (pH 6-8) 2.45 11.44 -66.05 1 9 1 114 466.514 7

Activity (Go SEA)

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