UCSF

ZINC52212378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 17 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) 2.06 7.81 -8.63 1 3 0 38 266.391 1
Hi High (pH 8-9.5) 2.51 6.93 -36.55 0 3 -1 41 265.383 1

Activity (Go SEA)

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