UCSF

ZINC35484763

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 3.61 15.19 -62.38 1 10 0 128 505.575 10
Lo Low (pH 4.5-6) 3.61 14.45 -46.09 2 10 1 125 506.583 10

Activity (Go SEA)

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