UCSF

ZINC35725415

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 4.36 8.3 -28.59 1 7 0 92 483.402 5
Hi High (pH 8-9.5) 4.55 6.93 -63.38 0 7 -1 99 482.394 5

Activity (Go SEA)

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