UCSF

ZINC33343406

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2009 27 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) 2.40 7.61 -24.67 2 6 0 81 400.481 5
Hi High (pH 8-9.5) 2.47 6.98 -65.42 1 6 -1 87 399.473 5

Activity (Go SEA)

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