UCSF

ZINC06493585

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 23 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) 3.06 8 -57.16 0 4 -1 60 326.759 3
Mid Mid (pH 6-8) 3.50 0.41 -17.74 1 4 0 57 327.767 2
Mid Mid (pH 6-8) 2.47 0.17 -10.72 0 4 0 54 327.767 3

Activity (Go SEA)

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