UCSF

ZINC06446555

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 30 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) 4.72 11.38 -60.11 0 4 -1 60 465.298 5
Mid Mid (pH 6-8) 4.14 12.52 -10.48 0 4 0 54 466.306 5
Mid Mid (pH 6-8) 4.72 12.12 -11.3 1 4 0 58 466.306 5

Activity (Go SEA)

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