UCSF

ZINC21299093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) -1.22 -4.24 -98.35 6 10 0 169 420.513 7
Mid Mid (pH 6-8) -1.22 -4.79 -92.61 5 10 -1 172 419.505 7

Activity (Go SEA)

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