UCSF

ZINC35281710

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 32 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) 2.15 6.69 -72.01 2 8 0 104 440.496 9
Lo Low (pH 4.5-6) 2.15 5.93 -52.02 3 8 1 101 441.504 9

Activity (Go SEA)

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