UCSF

ZINC18097502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 24 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) 1.47 3.04 -62.58 2 6 -1 99 324.312 4
Lo Low (pH 4.5-6) 1.47 1.75 -25.44 3 6 0 96 325.32 4

Activity (Go SEA)

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