UCSF

ZINC06693834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 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) 3.41 6.28 -16.92 3 7 0 100 376.416 5
Hi High (pH 8-9.5) 3.41 7.21 -69.75 2 7 -1 102 375.408 5
Mid Mid (pH 6-8) 3.41 6.32 -17.44 3 7 0 100 376.416 5

Activity (Go SEA)

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