UCSF

ZINC36239726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 3.10 9 -52.97 2 6 1 56 385.875 3
Lo Low (pH 4.5-6) 3.10 8.01 -86.81 3 6 2 57 386.883 3

Activity (Go SEA)

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