UCSF

ZINC26480428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 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) 4.51 8.93 -6.91 2 2 0 39 284.359 3
Hi High (pH 8-9.5) 4.51 8.99 -35.72 1 2 -1 36 283.351 3

Activity (Go SEA)

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