UCSF

ZINC40798562

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 13 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) 0.82 4.24 -40.97 2 3 1 34 205.709 4
Hi High (pH 8-9.5) 1.00 2.41 -32.36 1 3 0 40 204.701 4

Activity (Go SEA)

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