UCSF

ZINC26566572

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 29 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) 7.15 17 -36.63 1 2 1 14 498.428 8
Hi High (pH 8-9.5) 7.15 14.38 -4.67 0 2 0 12 497.42 8

Activity (Go SEA)

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