UCSF

ZINC34955276

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 6.42 15.02 -62.91 0 5 -1 73 485.56 4
Lo Low (pH 4.5-6) 6.42 14.13 -15.57 1 5 0 71 486.568 4

Activity (Go SEA)

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