UCSF

ZINC25321855

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 23 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) 3.75 7.97 -11.67 1 4 0 51 328.368 4
Hi High (pH 8-9.5) 3.82 7.08 -40.9 0 4 -1 58 327.36 4

Activity (Go SEA)

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