UCSF

ZINC53114153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 Yes

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) 0.41 -0.31 -10.27 6 6 0 114 278.356 4
Lo Low (pH 4.5-6) 0.41 -0.22 -33.14 7 6 1 116 279.364 4

Activity (Go SEA)

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