UCSF

ZINC26459016

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 36 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) 5.18 11.61 -59.43 0 7 -1 92 492.523 11
Lo Low (pH 4.5-6) 5.18 10.79 -15.98 1 7 0 89 493.531 11

Activity (Go SEA)

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