UCSF

ZINC49545764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 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) -1.14 4.68 -25.87 1 7 0 83 329.356 2
Hi High (pH 8-9.5) 0.16 3.16 -55.31 0 7 -1 86 328.348 2

Activity (Go SEA)

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