UCSF

ZINC49668122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 23 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) 0.79 6.41 -15.9 1 5 0 62 309.369 5
Lo Low (pH 4.5-6) 0.79 6.81 -51.36 2 5 1 64 310.377 5

Activity (Go SEA)

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