UCSF

ZINC28333622

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 41 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) 5.14 8.43 -16.43 3 8 0 92 570.612 12
Mid Mid (pH 6-8) 5.14 10.76 -56.79 4 8 1 93 571.62 12

Activity (Go SEA)

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