UCSF

ZINC43122010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 4.17 9.48 -7.85 3 4 0 55 371.282 3
Lo Low (pH 4.5-6) 4.17 9.86 -24.26 4 4 1 57 372.29 3

Activity (Go SEA)

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