UCSF

ZINC58165466

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 25 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) 3.88 10.96 -46.36 2 5 1 62 360.865 6
Lo Low (pH 4.5-6) 3.88 9.93 -59.4 2 5 1 66 360.865 6

Activity (Go SEA)

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