UCSF

ZINC09020097

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 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) 3.38 8.7 -48.75 1 6 -1 98 463.691 6
Mid Mid (pH 6-8) 2.80 9.37 -54.02 0 6 -1 95 463.691 6

Activity (Go SEA)

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