UCSF

ZINC41586179

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 4.38 10.81 -52.45 2 7 1 90 452.527 7
Hi High (pH 8-9.5) 4.38 8.55 -12.75 1 7 0 89 451.519 7
Mid Mid (pH 6-8) 4.38 11.57 -37.87 1 7 0 93 451.519 7

Activity (Go SEA)

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