UCSF

ZINC43562056

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 34 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) 8.46 13.13 -47.36 0 7 -1 90 475.65 21
Lo Low (pH 4.5-6) 8.12 15.68 -11.46 1 7 0 87 476.658 21

Activity (Go SEA)

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