UCSF

ZINC31674104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 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) 3.96 13.28 -15.09 0 8 0 88 461.518 8
Lo Low (pH 4.5-6) 3.96 14.86 -51.67 1 8 1 89 462.526 8

Activity (Go SEA)

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