UCSF

ZINC49745161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 31 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) 6.11 12.77 -114.51 4 4 2 54 427.677 13
Lo Low (pH 4.5-6) 6.11 13.2 -162.88 5 4 3 55 428.685 13

Activity (Go SEA)

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