UCSF

ZINC45700088

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.33 8.5 -43.81 1 6 1 71 294.375 9
Hi High (pH 8-9.5) 2.33 6.04 -14.19 0 6 0 69 293.367 9

Activity (Go SEA)

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