UCSF

ZINC17162325

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 33 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) 2.88 8.63 -79.34 1 8 0 93 454.523 9
Hi High (pH 8-9.5) 2.88 6.1 -64.4 0 8 -1 91 453.515 9

Activity (Go SEA)

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