UCSF

ZINC29251955

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 39 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) 8.71 15.42 -61.17 4 5 2 62 537.107 10
Hi High (pH 8-9.5) 8.71 14.67 -15.23 2 5 0 59 535.091 10
Mid Mid (pH 6-8) 8.71 15.05 -32.44 3 5 1 60 536.099 10

Activity (Go SEA)

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