UCSF

ZINC34932291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.84 10.24 -54.52 0 6 -1 83 459.909 8
Lo Low (pH 4.5-6) 3.84 9.5 -13.3 1 6 0 80 460.917 8

Activity (Go SEA)

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