UCSF

ZINC04635142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 31 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) 1.29 -3.82 -57.2 4 8 1 112 427.477 10
Mid Mid (pH 6-8) 0.71 -2.17 -56.03 3 8 1 109 427.477 10

Activity (Go SEA)

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