UCSF

ZINC42897960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.42 2.01 -10.66 2 6 0 91 261.281 6
Hi High (pH 8-9.5) 0.60 0.72 -43.74 1 6 -1 98 260.273 6

Activity (Go SEA)

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