UCSF

ZINC26527606

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 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) 3.81 6.22 -11.73 1 5 0 65 357.431 7
Hi High (pH 8-9.5) 3.81 6.29 -49.52 0 5 -1 67 356.423 7

Activity (Go SEA)

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