UCSF

ZINC26974366

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 52 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) 9.08 26.25 -244.14 4 6 4 36 717.14 6
Hi High (pH 8-9.5) 9.08 22.08 -98.49 2 6 2 34 715.124 6
Mid Mid (pH 6-8) 9.08 24.18 -163.54 3 6 3 35 716.132 6

Activity (Go SEA)

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