UCSF

ZINC36273197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 3.24 8.14 -37.55 3 6 1 66 355.462 7
Mid Mid (pH 6-8) 3.24 5.93 -12.82 2 6 0 65 354.454 7
Lo Low (pH 4.5-6) 3.24 8.25 -79.59 4 6 2 67 356.47 7

Activity (Go SEA)

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