UCSF

ZINC35738161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.47 6.8 -14.68 1 5 0 56 292.389 1
Hi High (pH 8-9.5) 1.93 5.63 -42.92 0 5 -1 59 291.381 1

Activity (Go SEA)

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