UCSF

ZINC45695267

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 0.80 2.6 -47.77 3 5 1 65 282.36 7
Hi High (pH 8-9.5) 0.80 1.19 -7.92 2 5 0 60 281.352 7

Activity (Go SEA)

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