UCSF

ZINC78387156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2012 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) 2.73 8.51 -9.1 1 4 0 45 321.302 3
Lo Low (pH 4.5-6) 2.73 8.97 -39.03 2 4 1 46 322.31 3

Activity (Go SEA)

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