UCSF

ZINC35505432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 0.26 5.9 -22.09 0 10 0 92 480.521 5
Mid Mid (pH 6-8) 0.26 8.09 -67.41 1 10 1 93 481.529 5

Activity (Go SEA)

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