UCSF

ZINC40791371

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 2.25 3.53 -12.68 3 4 0 70 285.343 7
Hi High (pH 8-9.5) 2.25 4.47 -45.33 2 4 -1 72 284.335 7

Activity (Go SEA)

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