UCSF

ZINC01153104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 22 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) 3.34 6.37 -10.48 1 4 0 59 376.231 2
Hi High (pH 8-9.5) 3.34 7.15 -38.78 0 4 -1 62 375.223 2

Activity (Go SEA)

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