UCSF

ZINC36221923

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 No

Other Names:

DNC013087

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) -0.41 4.3 -90.43 1 7 0 89 381.45 3
Hi High (pH 8-9.5) -0.41 2.07 -54.99 0 7 -1 88 380.442 3

Activity (Go SEA)

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