UCSF

ZINC35304476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 18 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) -2.72 4.68 -44.02 1 7 0 85 257.29 4
Hi High (pH 8-9.5) -2.72 2.54 -54.92 0 7 -1 84 256.282 4

Activity (Go SEA)

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