UCSF

ZINC13550893

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 1.25 2.72 -49.44 3 7 -1 102 347.42 6
Lo Low (pH 4.5-6) 0.80 3.8 -13.93 4 7 0 99 348.428 6

Activity (Go SEA)

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