UCSF

ZINC37791243

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.79 2.05 -13.63 2 5 0 79 314.313 4
Hi High (pH 8-9.5) 1.79 2.1 -42.61 1 5 -1 81 313.305 4

Activity (Go SEA)

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