UCSF

ZINC09359550

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 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) 3.24 8.59 -48.79 2 8 1 90 501.987 9
Mid Mid (pH 6-8) 2.66 -0.51 -57.1 1 8 1 86 501.987 9

Activity (Go SEA)

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