UCSF

ZINC35025675

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 1.52 5.22 -61 1 8 -1 112 443.435 5
Lo Low (pH 4.5-6) 1.52 4.46 -19.21 2 8 0 109 444.443 5

Activity (Go SEA)

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