UCSF

ZINC09272122

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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) 4.38 10.41 -47.38 2 6 1 71 502.429 9
Mid Mid (pH 6-8) 3.79 0.33 -56.98 1 6 1 68 502.429 9

Activity (Go SEA)

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