UCSF

ZINC36683388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

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) 4.42 7.97 -5.49 0 3 0 27 299.201 3
Lo Low (pH 4.5-6) 4.42 8.11 -31.77 1 3 1 28 300.209 3

Activity (Go SEA)

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