UCSF

ZINC36722958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 Yes

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) 0.05 6.06 -38.68 2 5 0 75 233.271 4
Hi High (pH 8-9.5) 0.05 4.79 -52.81 1 5 -1 70 232.263 4

Activity (Go SEA)

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