UCSF

ZINC05593916

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 21 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) 3.65 4.78 -45.89 1 4 -1 64 295.343 3
Ref Reference (pH 7) 4.14 5.3 -9.03 2 4 0 65 296.351 2

Activity (Go SEA)

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