UCSF

ZINC34934688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 2.73 8.13 -62.76 0 9 -1 125 425.417 9
Lo Low (pH 4.5-6) 2.73 7.36 -21.81 1 9 0 122 426.425 9

Activity (Go SEA)

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