UCSF

ZINC19509537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) -1.42 3.13 -58.69 1 5 -1 81 252.271 2
Hi High (pH 8-9.5) -1.42 3.92 -99.71 0 5 -2 83 251.263 2

Activity (Go SEA)

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