UCSF

ZINC43122222

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 39 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) 6.29 9.93 -17.54 4 8 0 134 528.557 11
Hi High (pH 8-9.5) 6.29 10.85 -60.35 3 8 -1 136 527.549 11
Hi High (pH 8-9.5) 6.29 10.85 -63.47 3 8 -1 136 527.549 11

Activity (Go SEA)

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