UCSF

ZINC49546429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 16 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) 2.46 8.95 -11.09 1 3 0 34 239.388 3
Hi High (pH 8-9.5) 3.18 9.07 -46.31 0 3 -1 31 238.38 3

Activity (Go SEA)

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