UCSF

ZINC02568418

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 28 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) 5.88 10.33 -19.53 2 6 0 88 374.396 6
Hi High (pH 8-9.5) 5.88 11.34 -64.85 1 6 -1 91 373.388 6

Activity (Go SEA)

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