UCSF

ZINC34997286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) -4.46 -8.78 -142.85 5 10 -2 191 288.145 8
Mid Mid (pH 6-8) -4.46 -9.94 -52.34 6 10 -1 188 289.153 8

Activity (Go SEA)

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