UCSF

ZINC03093635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 26 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) 0.82 -2.73 -20.61 1 7 0 100 372.402 5
Hi High (pH 8-9.5) 0.82 -2.15 -50.77 0 7 -1 102 371.394 5

Activity (Go SEA)

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