UCSF

ZINC03648727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) -0.43 0.17 -12.48 4 7 0 110 237.263 5
Lo Low (pH 4.5-6) -0.43 -3.94 -35.5 5 7 1 111 238.271 5
Lo Low (pH 4.5-6) -0.43 0.44 -37.06 5 7 1 111 238.271 5

Activity (Go SEA)

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