UCSF

ZINC35889772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 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) 4.40 12.56 -38.27 1 7 1 69 445.543 4
Mid Mid (pH 6-8) 4.40 12.23 -13.79 0 7 0 68 444.535 4

Activity (Go SEA)

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