UCSF

ZINC37803275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -0.52 0.9 -65.91 3 6 1 91 335.471 9
Hi High (pH 8-9.5) -0.52 0.61 -19.11 2 6 0 90 334.463 9

Activity (Go SEA)

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