UCSF

ZINC42587303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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) 3.08 5.29 -8.48 1 4 0 54 279.723 4
Hi High (pH 8-9.5) 3.08 6.07 -47.88 0 4 -1 57 278.715 4

Activity (Go SEA)

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