UCSF

ZINC09423649

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 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) 3.77 -0.72 -17.4 0 6 0 73 393.497 4
Lo Low (pH 4.5-6) 3.77 -0.62 -43.87 1 6 1 74 394.505 4

Activity (Go SEA)

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