UCSF

ZINC36138052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 1.41 7.29 -47.27 0 4 -1 60 234.275 5
Lo Low (pH 4.5-6) 1.41 5.32 -9.36 1 4 0 58 235.283 5

Activity (Go SEA)

Rings

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