UCSF

ZINC08742226

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 5.61 1.4 -14.22 0 8 0 110 476.529 8
Mid Mid (pH 6-8) 5.79 1.73 -14.59 0 8 0 110 476.529 8
Mid Mid (pH 6-8) 5.79 2.62 -14.53 0 8 0 110 476.529 8
Mid Mid (pH 6-8) 5.61 1.78 -16.63 0 8 0 110 476.529 8

Activity (Go SEA)

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