UCSF

ZINC36318882

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 3.49 5.47 -13.89 1 4 0 47 333.185 3
Lo Low (pH 4.5-6) 3.49 6.73 -26.58 2 4 1 48 334.193 3

Activity (Go SEA)

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