UCSF

ZINC41644115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 Yes

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) 1.54 6.74 -17.4 2 5 0 71 327.409 4
Lo Low (pH 4.5-6) 1.54 7.09 -43.24 3 5 1 72 328.417 4

Activity (Go SEA)

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