UCSF

ZINC09456352

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 2.42 8.14 -56.72 2 8 1 90 485.944 6
Mid Mid (pH 6-8) 1.83 8.83 -65.51 1 8 1 87 485.944 6

Activity (Go SEA)

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