UCSF

ZINC20899279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 2.93 10.73 -58.37 1 5 -1 78 471.027 5
Hi High (pH 8-9.5) 5.21 12.24 -36.32 2 5 -1 73 471.027 5
Mid Mid (pH 6-8) 4.86 12.25 -16.44 2 5 0 67 472.035 4
Lo Low (pH 4.5-6) 5.84 10.57 -56.24 0 5 -1 76 471.027 5

Activity (Go SEA)

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