UCSF

ZINC69178753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 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) 3.91 12.02 -42.29 2 4 1 37 364.513 5
Hi High (pH 8-9.5) 3.91 9.79 -10.02 1 4 0 36 363.505 5

Activity (Go SEA)

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