UCSF

ZINC16293209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 29 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) 3.88 6.42 -11.66 3 7 0 114 451.28 4
Lo Low (pH 4.5-6) 3.88 6.67 -65.17 4 7 1 116 452.288 4

Activity (Go SEA)

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