UCSF

ZINC35016911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 27 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) 2.69 7.49 -43.53 1 6 -1 91 429.609 8
Mid Mid (pH 6-8) 3.44 8.57 -18.17 2 6 0 85 430.617 9

Activity (Go SEA)

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