UCSF

ZINC16701610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 28 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) 1.90 1.17 -23.77 1 9 0 119 424.456 4
Hi High (pH 8-9.5) 1.90 1.26 -56.01 0 9 -1 121 423.448 4

Activity (Go SEA)

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