UCSF

ZINC04756089

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 29 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) 0.49 -1.23 -53.74 2 8 1 97 398.439 7
Mid Mid (pH 6-8) -0.09 -1.41 -64.09 1 8 1 94 398.439 7
Lo Low (pH 4.5-6) 0.94 -1.5 -120.03 3 8 2 98 399.447 6

Activity (Go SEA)

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