UCSF

ZINC20562340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -0.45 -0.17 -47.97 5 7 1 102 260.343 6
Hi High (pH 8-9.5) -0.45 -2.69 -13.85 4 7 0 100 259.335 6

Activity (Go SEA)

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