UCSF

ZINC04823771

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 14 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) 1.59 3.71 -9.29 2 5 0 85 189.174 1
Lo Low (pH 4.5-6) 1.59 3.99 -41.03 3 5 1 86 190.182 1

Activity (Go SEA)

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