UCSF

ZINC06912813

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 22 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) 4.78 11.29 -11.09 0 4 0 59 290.322 3
Lo Low (pH 4.5-6) 4.78 11.51 -40.93 1 4 1 60 291.33 3

Activity (Go SEA)

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