UCSF

ZINC35609642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 15 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) -1.73 -2.44 -50.26 4 5 1 71 216.305 5
Lo Low (pH 4.5-6) -1.73 -0.14 -94.74 5 5 2 73 217.313 5

Activity (Go SEA)

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