UCSF

ZINC05701171

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 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) 2.07 5.75 -15.46 1 6 0 78 331.368 7
Hi High (pH 8-9.5) 2.07 6.53 -58.94 0 6 -1 81 330.36 7

Activity (Go SEA)

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