UCSF

ZINC08859852

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 3.41 9.44 -50.3 2 8 1 90 483.585 12
Mid Mid (pH 6-8) 2.83 10.1 -57.64 1 8 1 87 483.585 12

Activity (Go SEA)

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