UCSF

ZINC49872228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 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) 5.19 5.93 -100.94 0 6 -2 96 527.304 6
Lo Low (pH 4.5-6) 5.19 5.89 -38.15 1 6 -1 94 528.312 6

Activity (Go SEA)

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