UCSF

ZINC44646647

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 2.50 5.33 -49.51 3 4 1 59 270.765 4
Hi High (pH 8-9.5) 2.32 2.49 -40.79 1 4 -1 60 268.749 4
Hi High (pH 8-9.5) 2.50 3.97 -12.04 2 4 0 54 269.757 4

Activity (Go SEA)

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