UCSF

ZINC22079083

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 1.14 6.06 -81.53 3 8 0 134 367.361 6
Lo Low (pH 4.5-6) 1.14 5.23 -66.55 4 8 1 131 368.369 6

Activity (Go SEA)

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