UCSF

ZINC09994255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 4.01 0.2 -48.81 2 7 1 80 479.597 9
Mid Mid (pH 6-8) 3.43 0.12 -59.19 1 7 1 77 479.597 9

Activity (Go SEA)

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