UCSF

ZINC40447756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 27 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) 4.90 12.69 -47.16 0 4 -1 59 371.497 12
Lo Low (pH 4.5-6) 4.90 10.71 -9.83 1 4 0 56 372.505 12

Activity (Go SEA)

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