UCSF

ZINC78762979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2012 25 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) 2.54 8.06 -12.91 1 6 0 64 341.411 5
Lo Low (pH 4.5-6) 2.54 8.53 -42.74 2 6 1 65 342.419 5

Activity (Go SEA)

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