UCSF

ZINC29059815

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 22 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) 3.66 7.23 -15.08 1 7 0 104 332.366 3
Hi High (pH 8-9.5) 4.11 6.03 -43.07 0 7 -1 107 331.358 3

Activity (Go SEA)

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