UCSF

ZINC01502364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 24 No

Download: MOL2 SDF SMILES Flexibase

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) 6.26 6.68 -8.93 2 4 0 65 399.686 2
Ref Reference (pH 7) 5.77 6.56 -38.73 1 4 -1 64 398.678 3
Hi High (pH 8-9.5) 6.72 5.42 -97.82 0 4 -2 71 397.67 2
Hi High (pH 8-9.5) 6.72 5.72 -95.47 0 4 -2 71 397.67 2
Mid Mid (pH 6-8) 5.77 7.33 -89.57 0 4 -2 67 397.67 3
Mid Mid (pH 6-8) 6.26 7.44 -34.19 1 4 -1 68 398.678 2
Mid Mid (pH 6-8) 6.26 7.74 -33.79 1 4 -1 68 398.678 2

Activity (Go SEA)

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