UCSF

ZINC35258486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 Yes

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) 3.09 10.42 -32.13 2 3 1 20 290.475 7
Hi High (pH 8-9.5) 3.09 8.34 -34.55 2 3 1 23 290.475 7
Lo Low (pH 4.5-6) 3.09 11.25 -119.93 3 3 2 24 291.483 7

Activity (Go SEA)

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