UCSF

ZINC59065796

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.09 10.77 -228.81 1 7 -3 141 329.369 14
Lo Low (pH 4.5-6) 3.09 6.6 -57.45 3 7 -1 135 331.385 14
Lo Low (pH 4.5-6) 3.09 8.58 -125.21 2 7 -2 138 330.377 14
Lo Low (pH 4.5-6) 3.09 8.8 -140.58 2 7 -2 138 330.377 14

Activity (Go SEA)

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