UCSF

ZINC09232893

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 4.24 9.91 -59.63 0 6 -1 83 439.9 6
Lo Low (pH 4.5-6) 4.24 9.09 -17.85 1 6 0 80 440.908 6

Activity (Go SEA)

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