UCSF

ZINC05602077

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 22 Yes

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) 1.63 -8.29 -14.41 3 6 0 106 348.352 4
Hi High (pH 8-9.5) 1.63 -7.71 -41.68 2 6 -1 108 347.344 4

Activity (Go SEA)

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