UCSF

ZINC09378528

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 4.60 -2.82 -17.86 2 8 0 110 468.531 10
Hi High (pH 8-9.5) 4.60 -2.25 -49.43 1 8 -1 112 467.523 10

Activity (Go SEA)

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