UCSF

ZINC35179326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 16 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) -1.07 3.08 -44.21 2 7 1 73 228.276 4
Hi High (pH 8-9.5) -1.07 0.61 -6.24 1 7 0 72 227.268 4

Activity (Go SEA)

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