UCSF

ZINC34560482

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 0.33 6.13 -42.15 0 9 -1 135 284.248 5
Lo Low (pH 4.5-6) 0.33 7.78 -50.01 1 9 0 136 285.256 5

Activity (Go SEA)

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