UCSF

ZINC04732827

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 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) 2.93 -1.54 -18.28 1 8 0 111 400.412 7
Hi High (pH 8-9.5) 2.93 -0.96 -58.58 0 8 -1 113 399.404 7

Activity (Go SEA)

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