UCSF

ZINC04039418

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 35 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) 2.62 9.48 -70.94 2 9 0 116 481.549 11
Hi High (pH 8-9.5) 2.62 6.99 -59.27 1 9 -1 115 480.541 11
Lo Low (pH 4.5-6) 2.62 8.72 -54.62 3 9 1 113 482.557 11

Activity (Go SEA)

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