UCSF

ZINC57291680

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 26 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) 3.61 6.99 -9.15 1 4 0 36 367.346 4
Lo Low (pH 4.5-6) 3.61 9.13 -54.62 2 4 1 37 368.354 4

Activity (Go SEA)

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