UCSF

ZINC36706194

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 36 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) 6.56 12.44 -9.8 0 6 0 55 522.07 8
Lo Low (pH 4.5-6) 6.56 14.71 -42.41 1 6 1 56 523.078 8

Activity (Go SEA)

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