UCSF

ZINC42520807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 0.73 2.97 -21.39 3 5 0 89 295.389 4
Hi High (pH 8-9.5) 1.19 0.52 -59.4 2 5 -1 92 294.381 4

Activity (Go SEA)

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