UCSF

ZINC35457578

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 5.12 14.94 -12.76 0 6 0 69 482.628 6
Lo Low (pH 4.5-6) 5.12 15.36 -46.21 1 6 1 71 483.636 6

Activity (Go SEA)

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