UCSF

ZINC40802545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 35 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) 7.28 15.32 -60.53 0 4 -1 74 481.697 3
Lo Low (pH 4.5-6) 7.28 13.45 -17.81 1 4 0 71 482.705 3

Activity (Go SEA)

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