UCSF

ZINC20096627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 6.20 11.91 -51.93 0 4 -1 65 396.253 5
Lo Low (pH 4.5-6) 6.20 12.22 -63.3 1 4 0 66 397.261 5

Activity (Go SEA)

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