UCSF

ZINC35732024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 2.07 7.23 -66.54 1 5 0 57 278.352 5
Hi High (pH 8-9.5) 2.07 4.98 -52.48 0 5 -1 56 277.344 5

Activity (Go SEA)

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