UCSF

ZINC35016838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 2.33 8.14 -38.23 1 6 -1 79 394.473 6
Mid Mid (pH 6-8) 3.08 9.24 -16.45 2 6 0 72 395.481 7

Activity (Go SEA)

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