UCSF

ZINC09358744

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) 5.62 14.91 -47.84 2 6 1 71 513.658 11
Mid Mid (pH 6-8) 5.04 1.81 -57.46 1 6 1 68 513.658 11

Activity (Go SEA)

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