UCSF

ZINC07056465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 22 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) 3.51 -2.99 -11.19 1 5 0 64 345.779 5
Hi High (pH 8-9.5) 3.51 -2.4 -47.56 0 5 -1 66 344.771 5

Activity (Go SEA)

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