UCSF

ZINC00000181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 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) 0.85 6.37 -52.7 2 5 1 60 330.404 2
Hi High (pH 8-9.5) 0.85 4.19 -10.93 1 5 0 59 329.396 2

Activity (Go SEA)

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