UCSF

ZINC31502593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 32 No

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) 0.86 -2.88 -14.8 5 10 0 155 448.424 5
Hi High (pH 8-9.5) 0.86 -1.88 -61.33 4 10 -1 158 447.416 5

Activity (Go SEA)

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