UCSF

ZINC39799901

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 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) -2.83 -0.51 -68.18 5 7 0 126 245.279 6
Hi High (pH 8-9.5) -2.83 -0.95 -41.14 4 7 -1 124 244.271 6

Activity (Go SEA)

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