UCSF

ZINC20411780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 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) 4.67 10.13 -54.67 2 5 1 64 394.491 4
Hi High (pH 8-9.5) 4.67 10.65 -36.55 1 5 0 67 393.483 4

Activity (Go SEA)

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