UCSF

ZINC35289660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 28 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) 2.71 6.37 -15 0 7 0 89 419.528 4
Lo Low (pH 4.5-6) 2.71 6.81 -40.64 1 7 1 91 420.536 4

Activity (Go SEA)

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