UCSF

ZINC37803813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.92 3.59 -55.16 3 5 1 74 233.313 4
Hi High (pH 8-9.5) -0.92 3.2 -13.97 2 5 0 73 232.305 4

Activity (Go SEA)

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