UCSF

ZINC34595481

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 35 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) 2.64 9.9 -18.89 2 9 0 116 508.629 8
Mid Mid (pH 6-8) 2.64 10.22 -69.24 3 9 1 118 509.637 8

Activity (Go SEA)

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