UCSF

ZINC37790640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) 1.25 7.2 -16.38 0 3 0 37 185.267 5
Hi High (pH 8-9.5) 1.26 6.15 -52.16 0 3 -1 43 184.259 5

Activity (Go SEA)

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