UCSF

ZINC07053369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 21 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) 3.64 -0.66 -11.71 1 4 0 69 300.383 3
Hi High (pH 8-9.5) 3.64 -0.09 -39.52 0 4 -1 72 299.375 3

Activity (Go SEA)

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