UCSF

ZINC25782118

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 33 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) 2.89 8.93 -42.41 4 11 1 142 452.543 8
Hi High (pH 8-9.5) 2.89 6.6 -14.33 3 11 0 140 451.535 8

Activity (Go SEA)

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