UCSF

ZINC39908178

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 7.26 14.65 -9.41 0 3 0 27 443.344 5
Lo Low (pH 4.5-6) 7.26 15.16 -29.51 1 3 1 28 444.352 5

Activity (Go SEA)

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