UCSF

ZINC00492104

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 24 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) 3.47 4 -19.15 3 6 0 91 348.786 5
Hi High (pH 8-9.5) 3.47 4.78 -65 2 6 -1 94 347.778 5

Activity (Go SEA)

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