UCSF

ZINC35655228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 Yes

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) 2.80 10.41 -26.73 1 8 0 98 437.554 7
Hi High (pH 8-9.5) 2.98 8.87 -64.47 0 8 -1 105 436.546 7

Activity (Go SEA)

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