UCSF

ZINC19232305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 21 Yes

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) 3.42 6.26 -54.91 1 5 -1 74 305.741 6
Lo Low (pH 4.5-6) 3.42 6.73 -38.47 2 5 0 76 306.749 6

Activity (Go SEA)

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