UCSF

ZINC08428189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 26 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) 2.02 9.5 -38.47 2 7 0 103 368.474 9
Mid Mid (pH 6-8) 2.02 8.67 -48.65 1 7 -1 99 367.466 9

Activity (Go SEA)

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