UCSF

ZINC05551110

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 22 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) 5.83 9.23 -7.02 1 3 0 45 373.275 2
Mid Mid (pH 6-8) 5.34 9.09 -44.24 0 3 -1 44 372.267 3

Activity (Go SEA)

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