UCSF

ZINC04245610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 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) -0.68 -0.01 -59.07 0 4 -1 60 230.309 3
Hi High (pH 8-9.5) -0.68 -0.97 -114.02 0 4 -2 60 229.301 3

Activity (Go SEA)

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