UCSF

ZINC04775718

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 16 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) -1.51 -2.22 -23.63 3 7 0 99 244.276 2
Hi High (pH 8-9.5) -1.51 -3.18 -66.54 3 7 -1 99 243.268 2

Activity (Go SEA)

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