UCSF

ZINC31156122

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 34 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) -0.06 -7.46 -42.1 7 12 0 200 478.406 5
Hi High (pH 8-9.5) -0.06 -6.45 -91.91 6 12 -1 202 477.398 5

Activity (Go SEA)

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