UCSF

ZINC16408576

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 26 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) 4.83 9.22 -10.51 1 5 0 71 435.705 6
Hi High (pH 8-9.5) 5.01 7.56 -37.47 0 5 -1 78 434.697 6

Activity (Go SEA)

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