UCSF

ZINC38194592

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 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) 0.72 6.41 -131.89 0 5 -2 89 220.18 4
Lo Low (pH 4.5-6) 0.72 4.8 -55.69 1 5 -1 87 221.188 4

Activity (Go SEA)

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