UCSF

ZINC20564166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 17 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) 2.14 -0.66 -14.38 4 5 0 92 258.343 6
Hi High (pH 8-9.5) 2.14 -0.21 -44.46 3 5 -1 95 257.335 6

Activity (Go SEA)

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