UCSF

ZINC37850102

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.38 3.26 -39.16 3 4 1 55 260.398 10
Hi High (pH 8-9.5) 1.38 1.91 -5.59 2 4 0 51 259.39 10

Activity (Go SEA)

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