UCSF

ZINC35759261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 14 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) 0.60 5.21 -60.74 1 4 0 48 200.282 4
Hi High (pH 8-9.5) 0.60 2.94 -43.78 0 4 -1 47 199.274 4

Activity (Go SEA)

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