UCSF

ZINC40286502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 27 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) 0.81 6.68 -38.87 3 7 1 83 373.477 6
Hi High (pH 8-9.5) 1.00 5.27 -53.33 2 7 0 89 372.469 6

Activity (Go SEA)

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