UCSF

ZINC01748127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 1.41 -1.73 -46.54 2 6 1 74 392.526 6
Mid Mid (pH 6-8) 0.83 -1.91 -54.29 1 6 1 71 392.526 6

Activity (Go SEA)

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