UCSF

ZINC19848947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 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) 5.58 11.88 -15.56 1 5 0 72 458.602 9
Hi High (pH 8-9.5) 6.16 13.45 -47.68 1 5 -1 78 457.594 8

Activity (Go SEA)

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