UCSF

ZINC35844987

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 5.68 16.9 -51.82 1 4 1 38 469.596 12
Hi High (pH 8-9.5) 5.68 14.94 -11.62 0 4 0 37 468.588 12

Activity (Go SEA)

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