UCSF

ZINC27662392

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 29 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) 0.89 1.09 -68.83 2 8 -1 119 398.391 7
Lo Low (pH 4.5-6) 0.89 0.27 -24.19 3 8 0 117 399.399 7

Activity (Go SEA)

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