UCSF

ZINC19990167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 2.32 10.08 -47.5 1 4 1 42 289.399 4
Mid Mid (pH 6-8) 2.32 7.9 -9.67 0 4 0 41 288.391 4

Activity (Go SEA)

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