UCSF

ZINC06621170

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 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) 3.10 7.89 -62.62 0 7 -1 88 424.473 10
Mid Mid (pH 6-8) 3.10 -0.06 -15.2 1 7 0 85 425.481 10
Mid Mid (pH 6-8) 2.51 -0.23 -14.8 0 7 0 82 425.481 10

Activity (Go SEA)

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