UCSF

ZINC37979067

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) -0.13 3.21 -56.41 3 5 1 83 222.268 7
Hi High (pH 8-9.5) -0.13 1.86 -16.23 2 5 0 78 221.26 7

Activity (Go SEA)

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