UCSF

ZINC13564772

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 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) 2.75 6.18 -22.44 2 8 0 105 469.494 6
Hi High (pH 8-9.5) 2.75 6.26 -50.78 1 8 -1 107 468.486 6

Activity (Go SEA)

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