UCSF

ZINC35185110

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 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) 3.99 4.86 -7.45 2 3 0 49 300.116 2
Hi High (pH 8-9.5) 3.99 5.63 -38.51 1 3 -1 52 299.108 2

Activity (Go SEA)

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