UCSF

ZINC37862771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 12 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) -0.81 -2.11 -38.88 4 4 1 70 172.204 5
Hi High (pH 8-9.5) -0.81 -3.58 -6.89 3 4 0 66 171.196 5

Activity (Go SEA)

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