UCSF

ZINC36273303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.09 8.07 -18.8 2 7 0 76 393.491 5
Mid Mid (pH 6-8) 2.09 7.44 -30.48 3 7 1 77 394.499 5
Lo Low (pH 4.5-6) 2.09 9.63 -94.91 4 7 2 79 395.507 5

Activity (Go SEA)

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