UCSF

ZINC35016765

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 1.96 7.76 -37.47 1 7 -1 103 358.396 6
Mid Mid (pH 6-8) 2.71 8.86 -17.33 2 7 0 96 359.404 7

Activity (Go SEA)

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