UCSF

ZINC36357668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 34 Yes

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) 3.34 4.91 -61.86 1 9 -1 121 457.514 4
Ref Reference (pH 7) 3.16 7.79 -55.37 1 9 -1 118 457.514 4
Lo Low (pH 4.5-6) 2.89 6.79 -18.19 2 9 0 118 458.522 4
Lo Low (pH 4.5-6) 2.70 9.62 -16.23 2 9 0 115 458.522 4

Activity (Go SEA)

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