UCSF

ZINC35016996

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) 2.43 7.29 -32.22 1 4 -1 57 347.313 4
Mid Mid (pH 6-8) 3.18 8.39 -13.81 2 4 0 50 348.321 5

Activity (Go SEA)

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