UCSF

ZINC09435105

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 6.64 0.94 -13.54 0 6 0 74 509.602 9
Mid Mid (pH 6-8) 6.82 0.98 -14.19 0 6 0 74 509.602 9
Mid Mid (pH 6-8) 6.82 2.03 -13.66 0 6 0 74 509.602 9
Mid Mid (pH 6-8) 6.64 0.73 -15.6 0 6 0 74 509.602 9

Activity (Go SEA)

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